SCHEMBL12396159

SCHEMBL12396159

CCN1CCC[C@@H]1CN(C)[C@@H](CNC(=O)Nc1ccccc1)CC1CCCCC1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
EPHX1 P07099 1/20 0.46
MCHR1 Q99705 2/20 0.45
MCHR2 Q969V1 1/20 0.45
DRD4 P21917 1/20 0.43
DRD3 P35462 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
KMT2A Q03164 1/20 0.41
CCR3 P51677 4/20 0.40
CCKBR P32239 1/20 0.40
NPY5R Q15761 1/20 0.40
HCRTR1 O43613 1/20 0.40
HCRTR2 O43614 1/20 0.40
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
NAMPT P43490 1/20 0.39
THRB P10828 1/20 0.39
CHRM3 P20309 1/20 0.38

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
SCHEMBL12396162 0.90 OPRD1 (0.47) RAB9ASMN1; SMN2EPHX1MCHR1DRD4
SCHEMBL12396188 0.89 RAB9A (0.49) RAB9ASMN1; SMN2EPHX1MCHR1MCHR2
SCHEMBL12396169 0.87 CCR3 (0.43) RAB9ASMN1; SMN2EPHX1DRD4DRD3
SCHEMBL12396167 0.86 CCR3 (0.44) EPHX1CCR3
SCHEMBL12396192 0.85 CCR3 (0.45) RAB9AMCHR1CCR3ALDH1A1
SCHEMBL12396172 0.77 CCR3 (0.48) RAB9ASMN1; SMN2MCHR1KMT2ACCR3
SCHEMBL12396174 0.77 CYP1A2 (0.44) SMN1; SMN2MCHR1KMT2ACCR3
SCHEMBL12396173 0.77 CCR3 (0.48) MCHR1KMT2ACCR3
SCHEMBL12396178 0.77 EPHX1 (0.44) EPHX1MCHR1MCHR2CCR3
SCHEMBL12396180 0.75 FPR2 (0.43) RAB9AEPHX1MCHR1KMT2ACCR3

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 RAB9A 3071/4885SMN1; SMN2 2861/4885EPHX1 3115/4885
US-20090043099-A1 Methods and compositions for derepression of IAP-inhibited caspase BIRC5, API5, BIRC3 RAB9A 3071/4885SMN1; SMN2 2861/4885EPHX1 3115/4885

“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.