SCHEMBL12396162

SCHEMBL12396162

CN(C[C@H]1CCCN1CCc1ccccc1)[C@@H](CNC(=O)Nc1ccccc1)CC1CCCCC1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 2/20 0.47
EPHX1 P07099 1/20 0.43
OPRM1 P35372 2/20 0.42
HTR1A P08908 2/20 0.42
DRD4 P21917 1/20 0.41
DRD3 P35462 1/20 0.41
HTR2A P28223 1/20 0.41
CCR3 P51677 3/20 0.40
MCHR1 Q99705 1/20 0.40
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
DRD2 P14416 1/20 0.39
OPRK1 P41145 1/20 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
SCHEMBL12396169 0.95 CCR3 (0.43) OPRD1EPHX1OPRM1HTR1ADRD4
SCHEMBL12396167 0.94 CCR3 (0.44) OPRD1EPHX1OPRM1HTR2ACCR3
SCHEMBL12396192 0.93 CCR3 (0.45) OPRD1OPRM1HTR2ACCR3MCHR1
SCHEMBL12396159 0.90 RAB9A (0.51) EPHX1DRD4DRD3CCR3MCHR1
SCHEMBL12396172 0.86 CCR3 (0.48) CCR3MCHR1RAB9ASMN1; SMN2
SCHEMBL12396173 0.85 CCR3 (0.48) HTR2ACCR3MCHR1
SCHEMBL12396174 0.85 CYP1A2 (0.44) OPRM1CCR3MCHR1SMN1; SMN2
SCHEMBL12396178 0.85 EPHX1 (0.44) EPHX1OPRM1HTR2ACCR3MCHR1
SCHEMBL12396138 0.84 CCR3 (0.44) OPRD1OPRM1HTR2ACCR3RAB9A
SCHEMBL12396176 0.83 CYP1A2 (0.40) OPRM1HTR2ACCR3MCHR1RAB9A

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 OPRD1 4625/4885EPHX1 3115/4885OPRM1 4782/4885
US-20090043099-A1 Methods and compositions for derepression of IAP-inhibited caspase BIRC5, API5, BIRC3 OPRD1 4625/4885EPHX1 3115/4885OPRM1 4782/4885

“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.