SCHEMBL3022685

SCHEMBL3022685

O=C(Nc1ccc(Oc2ccccc2)cc1)N1CC2CC1CN2C1Cc2ccc(F)cc2C1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 2/20 0.43
PDGFRB P09619 2/20 0.42
CFTR P13569 1/20 0.41
NAMPT P43490 2/20 0.41
FAAH O00519 4/20 0.40
GRIN2B Q13224 2/20 0.40
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
OPRK1 P41145 1/20 0.39
HTR2B P41595 1/20 0.39
TMEM97 Q5BJF2 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
LHCGR P22888 1/20 0.39
MCHR1 Q99705 1/20 0.38
LTA4H P09960 1/20 0.38
THRB P10828 1/20 0.38
ALOX12 P18054 1/20 0.38
KMT2A Q03164 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
SCHEMBL3028509 0.95 LHCGR (0.40) PDGFRBCFTRNAMPTFAAHGRIN2B
SCHEMBL3022934 0.91 CFTR (0.44) NPY5RCFTRFAAHGRIN2BHTR2A
SCHEMBL3024734 0.91 CFTR (0.45) NPY5RPDGFRBCFTRFAAHHTR2A
SCHEMBL3012867 0.90 NPY5R (0.49) NPY5RCFTRNAMPTFAAHGRIN2B
SCHEMBL3023429 0.88 LHCGR (0.40) NPY5RCFTRNAMPTFAAHHTR2A
SCHEMBL3023606 0.87 NAMPT (0.43) CFTRNAMPTFAAHGRIN2B
SCHEMBL3028365 0.86 HRH3 (0.44) NAMPTHTR2CHTR2BLTA4HKMT2A
SCHEMBL3022138 0.86 NPY5R (0.45) NPY5RCFTRFAAHGRIN2BHTR2A
SCHEMBL3026842 0.85 FAAH (0.42) NPY5RCFTRFAAHGRIN2BHTR2A
SCHEMBL3020628 0.83 TRPM8 (0.44)

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100204224-A1 AZACYCLIC COMPOUNDS AS INHIBITORS OF SENSORY NEURONE SPECIFIC SODIUM CHANNELS VERNALIS R & D LIMITED (GB) 2010-08-12 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 (1 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-20100204224-A1 AZACYCLIC COMPOUNDS AS INHIBITORS OF SENSORY NEURONE SPECIFIC SODIUM CHANNELS SCN1B, SCN2B, SCN1A NPY5R 153/4885PDGFRB 846/4885CFTR 866/4885

“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.