SCHEMBL12396154

SCHEMBL12396154

COc1ccc(CCN2CCC[C@@H]2CN(C)CCNC(=O)Nc2ccccc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 1/20 0.55
OPRM1 P35372 1/20 0.51
CYP1A2 P05177 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
TSHR P16473 1/20 0.49
CYP2C19 P33261 1/20 0.49
LTA4H P09960 4/20 0.47
MCHR1 Q99705 1/20 0.47
RAB9A P51151 2/20 0.47
NPC1 O15118 1/20 0.47
KDM4E B2RXH2 2/20 0.47
ALDH1A1 P00352 2/20 0.47
HTR2A P28223 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
DRD2 P14416 1/20 0.46
POLB P06746 1/20 0.45
HSD17B10 Q99714 1/20 0.45
HRH3 Q9Y5N1 2/20 0.44

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
SCHEMBL12396187 0.90 FPR2 (0.53) FPR2OPRM1CYP1A2CYP2D6CYP2C9
SCHEMBL12396182 0.85 OPRM1 (0.63) FPR2OPRM1MCHR1RAB9ANPC1
SCHEMBL12396148 0.85 FPR2 (0.48) FPR2OPRM1CYP1A2CYP2D6CYP2C9
SCHEMBL12396158 0.82 FPR2 (0.46) FPR2OPRM1CYP1A2CYP2D6CYP2C9
SCHEMBL12396183 0.82 FPR2 (0.47) FPR2OPRM1CYP1A2CYP2D6CYP2C9
SCHEMBL12396192 0.81 CCR3 (0.45) FPR2OPRM1CYP1A2CYP2D6CYP2C9
SCHEMBL12396138 0.78 CCR3 (0.44) FPR2OPRM1CYP1A2CYP2D6CYP2C9
SCHEMBL12464455 0.78 OPRM1 (0.43) FPR2OPRM1LTA4HMCHR1RAB9A
SCHEMBL12396172 0.74 CCR3 (0.48) CYP1A2CYP2D6CYP2C9TSHRCYP2C19
SCHEMBL12396194 0.73 NPY5R (0.42) OPRM1CYP2C9CYP2C19LTA4HRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110183358-A1 METHODS AND COMPOSITIONS FOR DEREPRESSION OF IAP-INHIBITED CASPASE THE BURNHAM INSTITUTE (US) 2011-07-28 US disclosed
US-20090043099-A1 Methods and compositions for derepression of IAP-inhibited caspase THE BURNHAM INSTITUTE (US) 2009-02-12 US disclosed
US-7217688-B2 Methods and compositions for derepression of IAP-inhibited caspase THE BURNHAM INSTITUTE (US) 2007-05-15 US disclosed
US-7217688-B2 Methods and compositions for derepression of IAP-inhibited caspase THE BURNHAM INSTITUTE (US) 2007-05-15 US disclosed
US-20070003535-A1 Methods and compositions for derepression of IAP-inhibited caspase NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2007-01-04 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 (2 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-20070003535-A1 Methods and compositions for derepression of IAP-inhibited caspase BIRC5, API5, BIRC3 FPR2 3403/4885OPRM1 4782/4885CYP1A2 4466/4885
US-20090043099-A1 Methods and compositions for derepression of IAP-inhibited caspase BIRC5, API5, BIRC3 FPR2 3403/4885OPRM1 4782/4885CYP1A2 4466/4885

“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.