SCHEMBL9963245

SCHEMBL9963245

CC(C)N1CCC2(CCN(C)C2=O)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.39
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
POLB P06746 1/20 0.34
MAPT P10636 1/20 0.34
BLM P54132 1/20 0.34
KMT2A Q03164 1/20 0.34
LTA4H P09960 1/20 0.33
GRIN1 Q05586 1/20 0.33
GRIN2A Q12879 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM3 P20309 1/20 0.33
PIK3CA P42336 2/20 0.32
MTOR P42345 2/20 0.32
DAO P14920 1/20 0.32
KCNH2 Q12809 3/20 0.32
HRH3 Q9Y5N1 2/20 0.32
CHRNA7 P36544 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9963247 0.91 LTA4H (0.37) CYP2D6KDM4EMEN1ALDH1A1LMNA
SCHEMBL12832197 0.89 CYP2D6 (0.33) CYP2D6GRIN1GRIN2ACHRM2CHRM3
SCHEMBL16559764 0.88 CYP2D6 (0.39) CYP2D6KDM4EMEN1ALDH1A1LMNA
SCHEMBL19077884 0.86 SMN1; SMN2 (0.36) CYP2D6LTA4HGRIN1GRIN2ACHRM2
SCHEMBL24782527 0.83
SCHEMBL16559762 0.82 CYP2D6 (0.34) CYP2D6KDM4EMEN1ALDH1A1LMNA
SCHEMBL10168628 0.80 GRIN1 (0.32) LTA4HGRIN1GRIN2A
SCHEMBL12026643 0.80 CYP2D6 (0.39) CYP2D6KDM4EMEN1ALDH1A1LMNA
SCHEMBL13460109 0.79 GRIN1 (0.40) LTA4HGRIN1GRIN2ACHRM2CHRM3
SCHEMBL3436929 0.79 CHRM2 (0.48) LTA4HGRIN1GRIN2ACHRM2CHRM3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 60 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240208909-A1 SUBSTITUTED QUINOLINE DERIVATIVES HAVING SOS1 INHIBITION ACTIVITIES AND USES THEREOF ACCUTAR BIOTECHNOLOGY INC. (US) 2024-06-27 US disclosed
US-20240067661-A1 PROLYL HYDROXYLASE DOMAIN-CONTAINING PROTEIN (PHD) INHIBITORS AND USES THEREOF INSILICO MEDICINE IP LIMITED (HK) 2024-02-29 US disclosed
US-20240067661-A1 PROLYL HYDROXYLASE DOMAIN-CONTAINING PROTEIN (PHD) INHIBITORS AND USES THEREOF INSILICO MEDICINE IP LIMITED (HK) 2024-02-29 US disclosed
US-11780854-B2 Prolyl hydroxylase domain-containing protein (PHD) inhibitors and uses thereof INSILICO MEDICINE IP LIMITED (HK) 2023-10-10 US disclosed
US-20230192723-A1 PROLYL HYDROXYLASE DOMAIN-CONTAINING PROTEIN (PHD) INHIBITORS AND USES THEREOF INSILICO MEDICINE IP LIMITED (HK) 2023-06-22 US disclosed
WO-2023098825-A1 SOS1 INHIBITOR, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND USE THEREOF 勤浩医药(苏州)有限公司 2023-06-08 WO disclosed
US-20230146135-A1 Benzodioxane Modulators of Leukotriene A4 Hydrolase (LTA4H) for Prevention and Treatment of Aging-Associated Diseases ALKAHEST, INC. 2023-05-11 US disclosed
WO-2023076679-A1 BENZODIOXANE MODULATORS OF LEUKOTRIENE A4 HYDROLASE (LTA4H) FOR PREVENTION AND TREATMENT OF AGING-ASSOCIATED DISEASES ALKAHEST, INC. (US) 2023-05-04 WO disclosed
US-11028079-B2 Small molecule BET bromodomain inhibitors and uses thereof CONVERGENE, LLC (US) 2021-06-08 US disclosed
US-20200223836-A1 SMALL MOLECULE BET BROMODOMAIN INHIBITORS AND USES THEREOF CONVERGENE LLC 2020-07-16 US disclosed
US-8551982-B2 Benzodioxane inhibitors of leukotriene production BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-10-08 US disclosed
US-20130244996-A1 BENZODIOXANE INHIBITORS OF LEUKOTRIENE PRODUCTION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-09-19 US disclosed
US-20130236468-A1 BENZODIOXANE INHIBITORS OF LEUKOTRIENE PRODUCTION FOR COMBINATION THERAPY BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-09-12 US disclosed
US-20130196973-A1 BENZODIOXANE INHIBITORS OF LEUKOTRIENE PRODUCTION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-08-01 US disclosed
US-8354403-B2 Pyrrolidine derived beta 3 adrenergic receptor agonists MERCK SHARP & DOHME CORP. (US) 2013-01-15 US disclosed
US-20120157432-A1 NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS MERCK SHARP & DOHME, CORP. (US) 2012-06-21 US disclosed
US-20110306587-A1 UNSATURATED NITROGEN HETEROCYCLIC COMPOUNDS USEFUL AS PDE10 INHIBITORS AMGEN INC. 2011-12-15 US disclosed
US-20110306587-A1 UNSATURATED NITROGEN HETEROCYCLIC COMPOUNDS USEFUL AS PDE10 INHIBITORS AMGEN INC. 2011-12-15 US disclosed
US-20080176883-A1 Antiinflammtory, antiproliferative, anticancer agents; (3-Hydroxy-pyrrolidin-1-yl)-(3-trifluoromethyl-7,8-dihydro-5H-[1,6]naphthyridin-6-yl)-methanone ABBVIE INC. 2008-07-24 US disclosed
US-20080176883-A1 Antiinflammtory, antiproliferative, anticancer agents; (3-Hydroxy-pyrrolidin-1-yl)-(3-trifluoromethyl-7,8-dihydro-5H-[1,6]naphthyridin-6-yl)-methanone ABBVIE INC. 2008-07-24 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (13 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080176883-A1 Antiinflammtory, antiproliferative, anticancer agents; (3-Hydroxy-pyrrolidin-1-yl)-(3-trifluoromethyl-7,8-dihydro-5H-[1,6]naphthyridin-6-yl)-methanone MIF, CCL5, CCR2 CYP2D6 519/4885KDM4E 3630/4885MEN1 3014/4885
US-20240067661-A1 PROLYL HYDROXYLASE DOMAIN-CONTAINING PROTEIN (PHD) INHIBITORS AND USES THEREOF EGLN2, EGLN3, EGLN1 CYP2D6 4156/4885KDM4E 134/4885MEN1 4280/4885
US-20230192723-A1 PROLYL HYDROXYLASE DOMAIN-CONTAINING PROTEIN (PHD) INHIBITORS AND USES THEREOF EGLN2, EGLN3, EGLN1 CYP2D6 4156/4885KDM4E 134/4885MEN1 4280/4885
US-11028079-B2 Small molecule BET bromodomain inhibitors and uses thereof BRDT, BRD4, BRD3 CYP2D6 4694/4885KDM4E 874/4885MEN1 2729/4885
US-20120157432-A1 NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS ADRB3, ADRB1, ADRB2 CYP2D6 1147/4885KDM4E 3804/4885MEN1 4791/4885
US-20130196973-A1 BENZODIOXANE INHIBITORS OF LEUKOTRIENE PRODUCTION LTA4H, LTB4R, LTC4S CYP2D6 290/4885KDM4E 1419/4885MEN1 2371/4885
US-20130244996-A1 BENZODIOXANE INHIBITORS OF LEUKOTRIENE PRODUCTION LTA4H, LTB4R, LTC4S CYP2D6 290/4885KDM4E 1419/4885MEN1 2371/4885
US-20200223836-A1 SMALL MOLECULE BET BROMODOMAIN INHIBITORS AND USES THEREOF BRDT, BRD4, BRD3 CYP2D6 4694/4885KDM4E 874/4885MEN1 2729/4885
US-20240208909-A1 SUBSTITUTED QUINOLINE DERIVATIVES HAVING SOS1 INHIBITION ACTIVITIES AND USES THEREOF SOS1, SOS2, IQGAP1 CYP2D6 4110/4885KDM4E 4416/4885MEN1 697/4885
US-20130236468-A1 BENZODIOXANE INHIBITORS OF LEUKOTRIENE PRODUCTION FOR COMBINATION THERAPY LTB4R, LTB4R2, LTC4S CYP2D6 539/4885KDM4E 2499/4885MEN1 2268/4885
US-20230146135-A1 Benzodioxane Modulators of Leukotriene A4 Hydrolase (LTA4H) for Prevention and Treatment of Aging-Associated Diseases LTA4H, LTB4R, LTC4S CYP2D6 688/4885KDM4E 837/4885MEN1 4697/4885
US-11780854-B2 Prolyl hydroxylase domain-containing protein (PHD) inhibitors and uses thereof EGLN2, EGLN3, EGLN1 CYP2D6 4156/4885KDM4E 134/4885MEN1 4280/4885
US-20110306587-A1 UNSATURATED NITROGEN HETEROCYCLIC COMPOUNDS USEFUL AS PDE10 INHIBITORS PDE10A, PDE2A, PDE3A CYP2D6 934/4885KDM4E 3148/4885MEN1 2975/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.