SCHEMBL12396138

SCHEMBL12396138

COc1ccc(CCN2CCC[C@@H]2CN(C(=O)Nc2ccccc2)[C@@H](CNC(=O)Nc2ccccc2)CC2CCCCC2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 3/20 0.44
OPRM1 P35372 1/20 0.43
FPR2 P25090 1/20 0.43
HTR2A P28223 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
TSHR P16473 1/20 0.41
CYP2C19 P33261 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
MCL1 Q07820 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
NPY5R Q15761 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
RAB9A P51151 2/20 0.40
NPC1 O15118 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
SCHEMBL12396199 0.93 CCR3 (0.46) CCR3CYP1A2CYP2D6CYP2C9TSHR
SCHEMBL12396194 0.93 NPY5R (0.42) OPRM1CYP2C9CYP2C19NPY5RMEN1
SCHEMBL12396202 0.93 CCR3 (0.47) CCR3FPR2HTR2ACYP1A2CYP2D6
SCHEMBL12396192 0.91 CCR3 (0.45) CCR3OPRM1FPR2HTR2ACYP1A2
SCHEMBL12396203 0.90 KCNJ1 (0.40) CCR3CYP1A2CYP2D6CYP2C9TSHR
SCHEMBL12396179 0.90 FPR2 (0.42) CCR3OPRM1FPR2HTR2ACYP1A2
SCHEMBL12396183 0.88 FPR2 (0.47) CCR3OPRM1FPR2CYP1A2CYP2D6
SCHEMBL12464455 0.88 OPRM1 (0.43) CCR3OPRM1FPR2HTR2AALDH1A1
SCHEMBL12396197 0.87 HRH3 (0.41) OPRM1CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL12396188 0.85 RAB9A (0.49) CCR3ALDH1A1NPY5RKMT2ARAB9A

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 7 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-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 CCR3 2069/4885OPRM1 4782/4885FPR2 3403/4885
US-20090043099-A1 Methods and compositions for derepression of IAP-inhibited caspase BIRC5, API5, BIRC3 CCR3 2069/4885OPRM1 4782/4885FPR2 3403/4885

“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.