SCHEMBL12396183

SCHEMBL12396183

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 1/20 0.47
OPRM1 P35372 1/20 0.47
RAB9A P51151 2/20 0.44
NPC1 O15118 1/20 0.44
CCR3 P51677 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
TSHR P16473 1/20 0.42
CYP2C19 P33261 1/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
HPGD P15428 1/20 0.42
MCL1 Q07820 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
DRD2 P14416 1/20 0.42
HRH3 Q9Y5N1 2/20 0.42

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
SCHEMBL12396148 0.90 FPR2 (0.48) FPR2OPRM1RAB9ANPC1CCR3
SCHEMBL12396138 0.88 CCR3 (0.44) FPR2OPRM1RAB9ANPC1CCR3
SCHEMBL12464455 0.87 OPRM1 (0.43) FPR2OPRM1RAB9ANPC1CCR3
SCHEMBL12396158 0.84 FPR2 (0.46) FPR2OPRM1RAB9ANPC1CCR3
SCHEMBL12396187 0.84 FPR2 (0.53) FPR2OPRM1RAB9ANPC1CCR3
SCHEMBL12396182 0.83 OPRM1 (0.63) FPR2OPRM1RAB9ANPC1KDM4E
SCHEMBL12396194 0.82 NPY5R (0.42) OPRM1RAB9AMEN1KMT2ACYP2C9
SCHEMBL12396154 0.82 FPR2 (0.55) FPR2OPRM1RAB9ANPC1MEN1
SCHEMBL12396192 0.81 CCR3 (0.45) FPR2OPRM1RAB9ANPC1CCR3
SCHEMBL12396199 0.81 CCR3 (0.46) RAB9ACCR3KMT2ACYP1A2CYP2D6

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 FPR2 3403/4885OPRM1 4782/4885RAB9A 3071/4885
US-20090043099-A1 Methods and compositions for derepression of IAP-inhibited caspase BIRC5, API5, BIRC3 FPR2 3403/4885OPRM1 4782/4885RAB9A 3071/4885

“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.