SCHEMBL9963244

SCHEMBL9963244

CC(C)N1CCC2(CCCNC2=O)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OTUD7B Q6GQQ9 1/20 0.38
LTA4H P09960 1/20 0.36
CYP2D6 P10635 1/20 0.35
GRIN1 Q05586 2/20 0.35
GRIN2A Q12879 2/20 0.35
JAK1 P23458 4/20 0.34
TYK2 P29597 4/20 0.34
JAK2 O60674 1/20 0.34
JAK3 P52333 1/20 0.34
TOP2A P11388 1/20 0.33
TOP2B Q02880 1/20 0.33
CDK8 P49336 7/20 0.32
CCNC P24863 5/20 0.32
CDK19 Q9BWU1 3/20 0.32
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
POLB P06746 1/20 0.31
MAPT P10636 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
SCHEMBL7880708 0.89 OTUD7B (0.47) OTUD7BCYP2D6JAK1TYK2JAK2
SCHEMBL26468040 0.87 OTUD7B (0.36) OTUD7BLTA4HGRIN1GRIN2AJAK1
SCHEMBL9963150 0.83 OTUD7B (0.40) OTUD7BLTA4HGRIN1GRIN2ATOP2A
SCHEMBL2605421 0.80 OTUD7B (0.41) OTUD7BLTA4HGRIN1GRIN2AJAK1
SCHEMBL16559765 0.80 CYP2D6 (0.38) OTUD7BCYP2D6TOP2ATOP2BKDM4E
SCHEMBL18592722 0.79 OTUD7B (0.53) OTUD7BCYP2D6JAK1TYK2JAK2
SCHEMBL12030922 0.79 CYP2D6 (0.35) CYP2D6KDM4EMEN1ALDH1A1LMNA
SCHEMBL21225565 0.78 CRBN (0.35) OTUD7BLTA4HGRIN1GRIN2ACDK8
SCHEMBL23107538 0.77 OTUD7B (0.46) OTUD7BGRIN1GRIN2AJAK1TYK2
SCHEMBL16750021 0.77 OTUD7B (0.46) OTUD7BGRIN1GRIN2AJAK1TYK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240025918-A1 KRAS G12D Inhibitors JACOBIO PHARMACEUTICALS CO., LTD. (CN) 2024-01-25 US disclosed
US-20240025918-A1 KRAS G12D Inhibitors JACOBIO PHARMACEUTICALS CO., LTD. (CN) 2024-01-25 US disclosed
US-20230219979-A1 PYRAZOLO[1,5-a]PYRIDINE COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF SHENZHEN ZHONGGE BIOLOGICAL TECHNOLOGY CO., LTD. (CN) 2023-07-13 US 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
US-20230125684-A1 Aryl Sulfonyl Compounds as CCR6 Inhibitors CHEMOCENTRYX, INC. 2023-04-27 US disclosed
WO-2021115457-A9 PYRAZOLO[1,5-A]PYRIDINE COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF 深圳众格生物科技有限公司 2022-05-19 WO disclosed
US-20210323922-A1 PD-1/PD-L1 INHIBITORS GILEAD SCIENCES, INC. (US) 2021-10-21 US disclosed
WO-2021115457-A1 PYRAZOLO[1,5-A]PYRIDINE COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF 深圳晶泰科技有限公司 2021-06-17 WO disclosed
US-9718803-B2 Unsaturated nitrogen heterocyclic compounds useful as PDE10 inhibitors AMGEN INC. (US) 2017-08-01 US disclosed
US-9662339-B2 Benzodioxane inhibitors of leukotriene production for combination therapy BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2017-05-30 US disclosed
US-8946203-B2 Benzodioxane inhibitors of leukotriene production BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-02-03 US disclosed
US-20140213572-A1 UNSATURATED NITROGEN HETEROCYCLIC COMPOUNDS USEFUL AS PDE10 INHIBITORS AMGEN INC. (US) 2014-07-31 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
WO-2011025690-A1 NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS MERCK SHARP & DOHME CORP. (US) 2011-03-03 WO 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 (11 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-20210323922-A1 PD-1/PD-L1 INHIBITORS CD274, PDCD1, PDCD1LG2 OTUD7B 3871/4885LTA4H 4662/4885CYP2D6 1713/4885
US-20140213572-A1 UNSATURATED NITROGEN HETEROCYCLIC COMPOUNDS USEFUL AS PDE10 INHIBITORS PDE10A, PDE2A, PDE3A OTUD7B 2500/4885LTA4H 1992/4885CYP2D6 934/4885
US-20230219979-A1 PYRAZOLO[1,5-a]PYRIDINE COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF RET, GRK4, RIN1 OTUD7B 3926/4885LTA4H 3287/4885CYP2D6 3101/4885
US-20230125684-A1 Aryl Sulfonyl Compounds as CCR6 Inhibitors CCR6, CCR1, CCR3 OTUD7B 3207/4885LTA4H 1432/4885CYP2D6 63/4885
US-20120157432-A1 NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS ADRB3, ADRB1, ADRB2 OTUD7B 3851/4885LTA4H 1892/4885CYP2D6 1147/4885
US-20130196973-A1 BENZODIOXANE INHIBITORS OF LEUKOTRIENE PRODUCTION LTA4H, LTB4R, LTC4S OTUD7B 3447/4885LTA4H 1/4885CYP2D6 290/4885
US-20130244996-A1 BENZODIOXANE INHIBITORS OF LEUKOTRIENE PRODUCTION LTA4H, LTB4R, LTC4S OTUD7B 3447/4885LTA4H 1/4885CYP2D6 290/4885
US-20130236468-A1 BENZODIOXANE INHIBITORS OF LEUKOTRIENE PRODUCTION FOR COMBINATION THERAPY LTB4R, LTB4R2, LTC4S OTUD7B 3124/4885LTA4H 4/4885CYP2D6 539/4885
US-20230146135-A1 Benzodioxane Modulators of Leukotriene A4 Hydrolase (LTA4H) for Prevention and Treatment of Aging-Associated Diseases LTA4H, LTB4R, LTC4S OTUD7B 1869/4885LTA4H 1/4885CYP2D6 688/4885
US-20110306587-A1 UNSATURATED NITROGEN HETEROCYCLIC COMPOUNDS USEFUL AS PDE10 INHIBITORS PDE10A, PDE2A, PDE3A OTUD7B 2500/4885LTA4H 1992/4885CYP2D6 934/4885
US-20240025918-A1 KRAS G12D Inhibitors KRAS, NRAS, HRAS OTUD7B 143/4885LTA4H 3901/4885CYP2D6 2836/4885

“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.