SCHEMBL5006779

SCHEMBL5006779

COCCOC1CCC(N(Cc2ccccc2)Cc2ccccc2)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
YTHDC1 Q96MU7 1/20 0.43
SLC6A2 P23975 3/20 0.43
SLC6A4 P31645 3/20 0.43
KMT2A Q03164 2/20 0.40
SLC6A3 Q01959 1/20 0.40
GRIN2B Q13224 1/20 0.39
MEN1 O00255 1/20 0.39
RAB9A P51151 1/20 0.39
CD38 P28907 1/20 0.39
ACKR3 P25106 1/20 0.37
DRD2 P14416 1/20 0.37
OPRM1 P35372 2/20 0.37
OPRL1 P41146 2/20 0.37
NPSR1 Q6W5P4 2/20 0.36
ALDH1A1 P00352 1/20 0.36
KDM4E B2RXH2 1/20 0.35
ATM Q13315 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
DPP4 P27487 1/20 0.35
DPP8 Q6V1X1 1/20 0.35

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
SCHEMBL23329876 1.00 YTHDC1 (0.43) YTHDC1SLC6A2SLC6A4KMT2ASLC6A3
SCHEMBL5009994 1.00 YTHDC1 (0.43) YTHDC1SLC6A2SLC6A4KMT2ASLC6A3
Hydrochloric Acid SCHEMBL21222660 0.99 YTHDC1 (0.42) YTHDC1SLC6A2SLC6A4KMT2ASLC6A3
Hydrochloric Acid SCHEMBL21222657 0.99 YTHDC1 (0.42) YTHDC1SLC6A2SLC6A4KMT2ASLC6A3
SCHEMBL23304768 0.93 YTHDC1 (0.39) YTHDC1SLC6A2SLC6A4KMT2ASLC6A3
SCHEMBL23329109 0.93 YTHDC1 (0.39) YTHDC1SLC6A2SLC6A4KMT2ASLC6A3
SCHEMBL23329107 0.92 KMT2A (0.41) YTHDC1SLC6A2SLC6A4KMT2ASLC6A3
SCHEMBL3016886 0.87 OPRM1 (0.39) YTHDC1SLC6A2SLC6A4KMT2ASLC6A3
SCHEMBL3031430 0.87 OPRM1 (0.39) YTHDC1SLC6A2SLC6A4KMT2ASLC6A3
SCHEMBL23329406 0.87 SLC6A2 (0.38) YTHDC1SLC6A2SLC6A4KMT2ASLC6A3

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119431323-A Heterobicyclic amides as CD38 inhibitors 贝林格尔·英格海姆国际有限公司 2025-02-14 CN disclosed
CN-114423753-B Heterobicyclic amides as CD38 inhibitors 里邦医疗公司 2024-09-17 CN disclosed
CN-117580829-A Quinoline and azaquinolines as inhibitors of CD38 勃林格英格翰国际有限公司 2024-02-20 CN disclosed
EP-4284511-A1 QUINOLINES AND AZAQUINOLINES AS INHIBITORS OF CD38 Boehringer Ingelheim International GmbH (DE) 2023-12-06 EP disclosed
US-20230158024-A1 CD38 INHIBITORS Astellas Engineered Small Molecules US, Incorporated 2023-05-25 US disclosed
US-20230158024-A1 CD38 INHIBITORS Astellas Engineered Small Molecules US, Incorporated 2023-05-25 US disclosed
US-20230025807-A1 CD38 INHIBITORS Astellas Engineered Small Molecules US, Incorporated 2023-01-26 US disclosed
WO-2022165114-A1 QUINOLINES AND AZAQUINOLINES AS INHIBITORS OF CD38 RIBON THERAPEUTICS, INC. (US) 2022-08-04 WO disclosed
EP-4003980-A1 HETEROBICYCLIC AMIDES AS INHIBITORS OF CD38 Ribon Therapeutics Inc. (US) 2022-06-01 EP disclosed
CN-114423753-A Heterobicyclic amides as CD38 inhibitors 里邦医疗公司 2022-04-29 CN disclosed
US-20080306069-A1 Pyrazole Derivatives for the Inhibition of CDK'S and GSK'S ASTEX THERAPEUTICS LIMITED (UK) 2008-12-11 US disclosed
EP-1846395-A1 PYRAZOLE DERIVATIVES FOR THE INHIBITION OF CDK'S AND GSK'S Astex Therapeutics Limited (GB) 2007-10-24 EP disclosed
WO-2006077414-A1 PYRAZOLE DERIVATIVES FOR THE INHIBITION OF CDK' S AND GSK' S ASTEX THERAPEUTICS LIMITED (GB) 2006-07-27 WO disclosed
WO-2006077414-A1 PYRAZOLE DERIVATIVES FOR THE INHIBITION OF CDK' S AND GSK' S ASTEX THERAPEUTICS LIMITED (GB) 2006-07-27 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 (3 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-20230025807-A1 CD38 INHIBITORS CD38, GLS, IDH2 YTHDC1 2791/4885SLC6A2 513/4885SLC6A4 1662/4885
US-20080306069-A1 Pyrazole Derivatives for the Inhibition of CDK'S and GSK'S GSK3A, CDK11A, CDK1 YTHDC1 2866/4885SLC6A2 3633/4885SLC6A4 3883/4885
US-20230158024-A1 CD38 INHIBITORS CD38, NQO1, NDUFAB1 YTHDC1 2285/4885SLC6A2 974/4885SLC6A4 3684/4885

“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.