SCHEMBL3012867

SCHEMBL3012867

O=C(Nc1ccc(Oc2ccccc2)cc1)N1CC2CC1CN2C1Cc2ccccc2C1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 2/20 0.49
LTA4H P09960 1/20 0.42
FAAH O00519 3/20 0.42
EPHX2 P34913 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
MEN1 O00255 1/20 0.41
MAPT P10636 1/20 0.41
HTT P42858 1/20 0.41
KMT2A Q03164 1/20 0.41
HPGD P15428 1/20 0.41
PGR P06401 1/20 0.41
GRIN2B Q13224 1/20 0.41
LMNA P02545 1/20 0.41
GAA P10253 1/20 0.41
FNTA P49354 1/20 0.40
FNTB P49356 1/20 0.40
EPHX1 P07099 1/20 0.40
NAMPT P43490 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40

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
SCHEMBL3022934 0.93 CFTR (0.44) NPY5RFAAHEPHX2KMT2AGRIN2B
SCHEMBL3022685 0.90 NPY5R (0.43) NPY5RLTA4HFAAHKMT2AGRIN2B
SCHEMBL3024734 0.90 CFTR (0.45) NPY5RFAAHMEN1KMT2ACFTR
SCHEMBL3026842 0.88 FAAH (0.42) NPY5RLTA4HFAAHGRIN2BCFTR
SCHEMBL3022138 0.87 NPY5R (0.45) NPY5RFAAHEPHX2KMT2AGRIN2B
SCHEMBL3028509 0.84 LHCGR (0.40) FAAHEPHX2KMT2AGRIN2BNAMPT
SCHEMBL3018805 0.82 NAMPT (0.53) NAMPT
SCHEMBL3026821 0.80 NPY5R (0.42) NPY5RLTA4HFAAHSMN1; SMN2MEN1
SCHEMBL3023429 0.79 LHCGR (0.40) NPY5RFAAHEPHX2KMT2ANAMPT
SCHEMBL3018814 0.77 NAMPT (0.49) NAMPT

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 153/4885LTA4H 317/4885FAAH 597/4885

“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.