SCHEMBL9924110

SCHEMBL9924110

CC(C)(C)CN1CCC(O)CC1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.43
ALDH1A1 P00352 2/20 0.43
GAA P10253 1/20 0.43
KCNA3 P22001 2/20 0.35
SPHK1 Q9NYA1 1/20 0.35
GPR119 Q8TDV5 1/20 0.34
TSHR P16473 1/20 0.34
HTT P42858 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
MAPT P10636 1/20 0.34
MEN1 O00255 1/20 0.34
CYP2D6 P10635 1/20 0.34
RAB9A P51151 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL9924115 0.86 ALDH1A1 (0.41) KDM4EALDH1A1GAAKCNA3HTT
SCHEMBL9924116 0.86 ALDH1A1 (0.41) KDM4EALDH1A1GAAKCNA3HTT
SCHEMBL4569249 0.86 ALDH1A1 (0.41) KDM4EALDH1A1GAAKCNA3HTT
SCHEMBL3656107 0.84 KDM4E (0.42) KDM4EALDH1A1GAAKCNA3SPHK1
SCHEMBL12425780 0.80 KDM4E (0.40) KDM4EALDH1A1GAAKCNA3SPHK1
SCHEMBL9924112 0.78 CHRM4 (0.31)
SCHEMBL9278459 0.78 ACHE (0.45) ALDH1A1TSHRHTT
SCHEMBL16546656 0.78 GNAI3 (0.35)
SCHEMBL10032110 0.77 KCNA3 (0.45) KDM4EALDH1A1GAAKCNA3SPHK1
SCHEMBL1572854 0.77 POLB (0.34) KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11325900-B2 5-(pyrimidin-4-yl)thiazol-2-yl urea derivatives as therapeutic agents AUCENTRA HOLDINGS PTY LTD (AU) 2022-05-10 US disclosed
US-20210070746-A1 5-(PYRIMIDIN-4-YL)THIAZOL-2-YL UREA DERIVATIVES AS THERAPEUTIC AGENTS AUCENTRA THERAPEUTICS PTY LTD (AU) 2021-03-11 US disclosed
US-20210009519-A1 HISTONE DEACETYLASE INHIBITORS BIOMARIN PHARMACEUTICAL INC. 2021-01-14 US disclosed
US-20210009519-A1 HISTONE DEACETYLASE INHIBITORS BIOMARIN PHARMACEUTICAL INC. 2021-01-14 US disclosed
US-10851058-B2 Histone deacetylase inhibitors BIOMARIN PHARMACEUTICAL INC. (US) 2020-12-01 US disclosed
US-10851058-B2 Histone deacetylase inhibitors BIOMARIN PHARMACEUTICAL INC. (US) 2020-12-01 US disclosed
US-10308608-B2 Histone deacetylase inhibitors BIOMARIN PHARMACEUTICAL INC. (US) 2019-06-04 US disclosed
US-10308608-B2 Histone deacetylase inhibitors BIOMARIN PHARMACEUTICAL INC. (US) 2019-06-04 US disclosed
US-20180370915-A1 HISTONE DEACETYLASE INHIBITORS BIOMARIN PHARMACEUTICAL INC. 2018-12-27 US disclosed
US-9993554-B2 Use of P13K Inhibitors for the Treatment of Obesity, Steatosis and ageing CENTRO NACIONAL DE INVESTIGACIONES ONCOLOGICAS (CNIO) (ES) 2018-06-12 US disclosed
US-20100249084-A1 SUBSTITUTED PYRIMIDINES AS ADENOSINE RECEPTOR ANTAGONISTS ALMIRALL, S.A. (ES) 2010-09-30 US disclosed
US-20100197908-A1 Pyridazine Derivatives with MCH Antagonistic Activity and Medicaments Comprising These Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-08-05 US disclosed
US-7605176-B2 β-ketoamide compounds with MCH antagonistic activity BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-10-20 US disclosed
US-20090258851-A1 DIARYL SUBSTITUTED ALKANES MERCK SHARP & DOHME CORP. 2009-10-15 US disclosed
US-20090258851-A1 DIARYL SUBSTITUTED ALKANES MERCK SHARP & DOHME CORP. 2009-10-15 US disclosed
US-7592373-B2 Amide compounds with MCH antagonistic activity and medicaments comprising these compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-09-22 US disclosed
US-7592373-B2 Amide compounds with MCH antagonistic activity and medicaments comprising these compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-09-22 US disclosed
US-20080293687-A1 Benzamide Compounds ASTRAZENECA AB (SE) 2008-11-27 US disclosed
WO-2008033299-A2 USE OF N-CONTAINING SPIROCOMPOUNDS FOR THE ENHANCEMENT OF COGNITIVE FUNCTION ADOLOR CORPORATION (US) 2008-03-20 WO disclosed
US-20070111981-A1 New (hetero)aryl compounds with MCH antagonistic activity and medicaments comprising these compounds ROTH GERALD J 2007-05-17 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 (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-20070111981-A1 New (hetero)aryl compounds with MCH antagonistic activity and medicaments comprising these compounds MCHR1, GPR119, MCHR2 KDM4E 1313/4885ALDH1A1 3960/4885GAA 611/4885
US-20100249084-A1 SUBSTITUTED PYRIMIDINES AS ADENOSINE RECEPTOR ANTAGONISTS ADORA3, ADORA1, ADORA2A KDM4E 3894/4885ALDH1A1 381/4885GAA 2129/4885
US-10851058-B2 Histone deacetylase inhibitors HDAC1, HDAC2, HDAC3 KDM4E 191/4885ALDH1A1 1150/4885GAA 548/4885
US-20100197908-A1 Pyridazine Derivatives with MCH Antagonistic Activity and Medicaments Comprising These Compounds MCHR1, MCHR2, MC5R KDM4E 1410/4885ALDH1A1 3642/4885GAA 892/4885
US-20210009519-A1 HISTONE DEACETYLASE INHIBITORS HDAC1, HDAC2, HDAC3 KDM4E 191/4885ALDH1A1 1150/4885GAA 548/4885
US-11325900-B2 5-(pyrimidin-4-yl)thiazol-2-yl urea derivatives as therapeutic agents CDK8, CDK18, CDK9 KDM4E 679/4885ALDH1A1 4073/4885GAA 3501/4885
US-20210070746-A1 5-(PYRIMIDIN-4-YL)THIAZOL-2-YL UREA DERIVATIVES AS THERAPEUTIC AGENTS CDK8, CDK18, CDK9 KDM4E 679/4885ALDH1A1 4073/4885GAA 3501/4885
US-20180370915-A1 HISTONE DEACETYLASE INHIBITORS HDAC1, HDAC2, HDAC3 KDM4E 191/4885ALDH1A1 1150/4885GAA 548/4885
US-20090258851-A1 DIARYL SUBSTITUTED ALKANES ALOX5, ALOX15, LTB4R2 KDM4E 2311/4885ALDH1A1 328/4885GAA 2133/4885
US-10308608-B2 Histone deacetylase inhibitors HDAC1, HDAC2, HDAC3 KDM4E 191/4885ALDH1A1 1150/4885GAA 548/4885
US-20080293687-A1 Benzamide Compounds HDAC1, HDAC11, HDAC2 KDM4E 342/4885ALDH1A1 299/4885GAA 297/4885

“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.