SCHEMBL12396182

SCHEMBL12396182

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

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 3/20 0.63
FPR2 P25090 1/20 0.57
DRD2 P14416 2/20 0.55
KDM4E B2RXH2 1/20 0.55
ALDH1A1 P00352 1/20 0.55
MAPT P10636 1/20 0.55
HPGD P15428 1/20 0.55
MCL1 Q07820 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
RAB9A P51151 2/20 0.54
NPC1 O15118 1/20 0.54
MCHR1 Q99705 2/20 0.53
MCHR2 Q969V1 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
HTR1A P08908 2/20 0.52
HRH3 Q9Y5N1 2/20 0.51

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
SCHEMBL12396154 0.85 FPR2 (0.55) OPRM1FPR2DRD2KDM4EALDH1A1
SCHEMBL12396148 0.84 FPR2 (0.48) OPRM1FPR2DRD2KDM4EALDH1A1
SCHEMBL12396187 0.84 FPR2 (0.53) OPRM1FPR2DRD2KDM4EALDH1A1
SCHEMBL12396183 0.83 FPR2 (0.47) OPRM1FPR2DRD2KDM4EALDH1A1
SCHEMBL12396158 0.81 FPR2 (0.46) OPRM1FPR2DRD2KDM4EALDH1A1
SCHEMBL12396192 0.80 CCR3 (0.45) OPRM1FPR2DRD2KDM4EALDH1A1
SCHEMBL12396138 0.79 CCR3 (0.44) OPRM1FPR2DRD2KDM4EALDH1A1
SCHEMBL12464455 0.78 OPRM1 (0.43) OPRM1FPR2DRD2ALDH1A1RAB9A
SCHEMBL8055430 0.77 EPHX1 (0.58) OPRM1KDM4EALDH1A1MAPTHPGD
SCHEMBL7477092 0.76 HRH3 (0.54) DRD2HTR1AHRH3

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 8 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-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-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
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 OPRM1 4782/4885FPR2 3403/4885DRD2 4019/4885
US-20090043099-A1 Methods and compositions for derepression of IAP-inhibited caspase BIRC5, API5, BIRC3 OPRM1 4782/4885FPR2 3403/4885DRD2 4019/4885

“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.