SCHEMBL4559830

SCHEMBL4559830

C=CCN(CC=C)C1(C#N)CCN(Cc2ccccc2)CC1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.53
HSD17B10 Q99714 2/20 0.46
CYP3A4 P08684 1/20 0.46
SIGMAR1 Q99720 5/20 0.44
OPRL1 P41146 3/20 0.43
ALDH1A1 P00352 2/20 0.43
MEN1 O00255 1/20 0.43
CYP2C9 P11712 1/20 0.43
TSHR P16473 1/20 0.43
CYP2C19 P33261 1/20 0.43
KMT2A Q03164 1/20 0.43
HIF1A Q16665 1/20 0.43
POLB P06746 1/20 0.43
KCNA3 P22001 1/20 0.41
KDM4E B2RXH2 1/20 0.40
USP2 O75604 1/20 0.40
ALOX15 P16050 1/20 0.40
CASP1 P29466 1/20 0.40
CCR3 P51677 1/20 0.40

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
SCHEMBL2331319 0.80 OPRM1 (0.61) OPRM1HSD17B10CYP3A4SIGMAR1OPRL1
SCHEMBL5671761 0.79 OPRM1 (0.53) OPRM1HSD17B10CYP3A4SIGMAR1OPRL1
SCHEMBL5674633 0.77 OPRM1 (0.57) OPRM1HSD17B10CYP3A4SIGMAR1OPRL1
SCHEMBL17140511 0.74 OPRM1 (0.53) OPRM1HSD17B10CYP3A4SIGMAR1OPRL1
SCHEMBL12022949 0.74 OPRM1 (0.69) OPRM1HSD17B10CYP3A4SIGMAR1OPRL1
SCHEMBL24712978 0.71 OPRM1 (0.65) OPRM1HSD17B10CYP3A4SIGMAR1OPRL1
SCHEMBL1587072 0.71 OPRM1 (0.65) OPRM1HSD17B10CYP3A4SIGMAR1OPRL1
SCHEMBL62966 0.71 OPRM1 (0.65) OPRM1HSD17B10CYP3A4SIGMAR1OPRL1
SCHEMBL8894213 0.71 OPRM1 (0.50) OPRM1HSD17B10CYP3A4SIGMAR1OPRL1
SCHEMBL9233113 0.71 CHRM2 (0.50) OPRM1OPRL1ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090176789-A1 Diazaspirodecane orexin receptor antagonists MERCK SHARP & DOHME CORP. 2009-07-09 US disclosed
US-20090176789-A1 Diazaspirodecane orexin receptor antagonists MERCK SHARP & DOHME CORP. 2009-07-09 US disclosed
US-20090176789-A1 Diazaspirodecane orexin receptor antagonists MERCK SHARP & DOHME CORP. 2009-07-09 US disclosed
EP-1922071-A2 DIAZASPIRODECANE OREXIN RECEPTOR ANTAGONISTS Merck & Co., Inc. (US) 2008-05-21 EP disclosed
WO-2007025069-A2 DIAZASPIRODECANE OREXIN RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 2007-03-01 WO disclosed
WO-2007025069-A2 DIAZASPIRODECANE OREXIN RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 2007-03-01 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 (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-20090176789-A1 Diazaspirodecane orexin receptor antagonists HCRTR2, HCRTR1, OXTR OPRM1 294/4885HSD17B10 1262/4885CYP3A4 3650/4885

“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.