SCHEMBL12396173

SCHEMBL12396173

COc1ccc(CCN2CCC[C@@H]2CN(C)[C@@H](CNC(=O)Nc2ccc(F)cc2)CC2CCCCC2)cc1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 11/20 0.48
FPR2 P25090 1/20 0.46
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
TSHR P16473 1/20 0.44
CYP2C19 P33261 1/20 0.44
MCHR1 Q99705 1/20 0.42
HTR2A P28223 1/20 0.40
NPC1 O15118 1/20 0.39
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39

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
SCHEMBL12396172 0.93 CCR3 (0.48) CCR3CYP1A2CYP2D6CYP2C9TSHR
SCHEMBL12396174 0.93 CYP1A2 (0.44) CCR3CYP1A2CYP2D6CYP2C9TSHR
SCHEMBL12396192 0.93 CCR3 (0.45) CCR3FPR2CYP1A2CYP2D6CYP2C9
SCHEMBL12396202 0.91 CCR3 (0.47) CCR3FPR2CYP1A2CYP2D6CYP2C9
SCHEMBL12396167 0.91 CCR3 (0.44) CCR3CYP2D6HTR2A
SCHEMBL12396178 0.89 EPHX1 (0.44) CCR3CYP1A2CYP2D6CYP2C9TSHR
SCHEMBL12396176 0.89 CYP1A2 (0.40) CCR3FPR2CYP1A2CYP2D6CYP2C9
SCHEMBL12396162 0.85 OPRD1 (0.47) CCR3MCHR1HTR2A
SCHEMBL12396199 0.85 CCR3 (0.46) CCR3CYP1A2CYP2D6CYP2C9TSHR
SCHEMBL12396169 0.84 CCR3 (0.43) CCR3CYP1A2CYP2C9CYP2C19HTR2A

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 CCR3 2069/4885FPR2 3403/4885CYP1A2 4466/4885
US-20090043099-A1 Methods and compositions for derepression of IAP-inhibited caspase BIRC5, API5, BIRC3 CCR3 2069/4885FPR2 3403/4885CYP1A2 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.