SCHEMBL12396174

SCHEMBL12396174

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

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
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
CCR3 P51677 9/20 0.41
KMT2A Q03164 1/20 0.39
HRH3 Q9Y5N1 2/20 0.38
TRPV6 Q9H1D0 1/20 0.38
EPHX2 P34913 1/20 0.38
MAPT P10636 1/20 0.38
OPRM1 P35372 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37

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) CYP1A2CYP2D6CYP2C9TSHRCYP2C19
SCHEMBL12396173 0.93 CCR3 (0.48) CYP1A2CYP2D6CYP2C9TSHRCYP2C19
SCHEMBL12396192 0.93 CCR3 (0.45) CYP1A2CYP2D6CYP2C9TSHRCYP2C19
SCHEMBL12396178 0.89 EPHX1 (0.44) CYP1A2CYP2D6CYP2C9TSHRCYP2C19
SCHEMBL12396176 0.89 CYP1A2 (0.40) CYP1A2CYP2D6CYP2C9TSHRCYP2C19
SCHEMBL12396162 0.85 OPRD1 (0.47) MCHR1CCR3OPRM1SMN1; SMN2
SCHEMBL12396199 0.85 CCR3 (0.46) CYP1A2CYP2D6CYP2C9TSHRCYP2C19
SCHEMBL12396202 0.84 CCR3 (0.47) CYP1A2CYP2D6CYP2C9TSHRCYP2C19
SCHEMBL12396169 0.84 CCR3 (0.43) CYP1A2CYP2C9CYP2C19CCR3KMT2A
SCHEMBL12396138 0.84 CCR3 (0.44) CYP1A2CYP2D6CYP2C9TSHRCYP2C19

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 CYP1A2 4466/4885CYP2D6 4553/4885CYP2C9 4607/4885
US-20090043099-A1 Methods and compositions for derepression of IAP-inhibited caspase BIRC5, API5, BIRC3 CYP1A2 4466/4885CYP2D6 4553/4885CYP2C9 4607/4885

“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.