SCHEMBL5950359

SCHEMBL5950359

COc1ccccc1C1Nc2ccc(C3=CCN(CCN(C)C(=O)OC(C)(C)C)CC3)cc2C1(C)C

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 5/20 0.37
SIGMAR1 Q99720 2/20 0.36
CCNT1 O60563 4/20 0.34
CDK9 P50750 4/20 0.34
GRM5 P41594 1/20 0.34
GRM1 Q13255 1/20 0.34
PPARG P37231 1/20 0.34
PPARA Q07869 1/20 0.34
CACNA1G O43497 1/20 0.33
KCNH2 Q12809 1/20 0.33
PARP1 P09874 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPT P10636 1/20 0.33
QDPR P09417 1/20 0.33

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
SCHEMBL5821626 0.76 CCNT1 (0.42) SIGMAR1CCNT1CDK9CACNA1GKCNH2
SCHEMBL5821411 0.73 CCNT1 (0.45) CCNT1CDK9CACNA1GKCNH2PARP1
SCHEMBL5066879 0.72 DRD2 (0.45) HTR7SIGMAR1PPARGPPARAKDM4E
SCHEMBL4563258 0.71 SIGMAR1 (0.46) HTR7SIGMAR1PPARGPPARAKDM4E
SCHEMBL5824183 0.70 CCNT1 (0.39) SIGMAR1CCNT1CDK9KDM4EMAPT
SCHEMBL5950685 0.68 KDM4E (0.39) SIGMAR1CCNT1CDK9KDM4EMAPT
SCHEMBL5067573 0.66 PARP1 (0.41) CCNT1CDK9PPARGPPARACACNA1G
SCHEMBL5822824 0.65 CCNT1 (0.45) SIGMAR1CCNT1CDK9PPARGPPARA
SCHEMBL5950590 0.64 CDK9 (0.38) SIGMAR1CCNT1CDK9KDM4EMAPT
SCHEMBL5806705 0.62 MAPT (0.44) KDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060235037-A1 Heterocyclic inhibitors of protein arginine methyl transferases BRISTOL-MYERS SQUIBB COMPANY 2006-10-19 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 (1 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-20060235037-A1 Heterocyclic inhibitors of protein arginine methyl transferases PRMT1, PRMT3, PRMT8 HTR7 4465/4885SIGMAR1 4801/4885CCNT1 263/4885

“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.