SCHEMBL3022934

SCHEMBL3022934

O=C(Nc1ccc(Oc2ccc(F)cc2)cc1)N1CC2CC1CN2C1Cc2ccccc2C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CFTR P13569 1/20 0.44
LHCGR P22888 3/20 0.43
HTR2A P28223 1/20 0.43
HTR2C P28335 1/20 0.43
OPRK1 P41145 1/20 0.43
HTR2B P41595 1/20 0.43
TMEM97 Q5BJF2 1/20 0.43
SIGMAR1 Q99720 1/20 0.43
GRIN2B Q13224 3/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
NPY5R Q15761 2/20 0.42
EPHX2 P34913 1/20 0.41
THRB P10828 1/20 0.41
ALOX12 P18054 1/20 0.41
KMT2A Q03164 1/20 0.41
CYP2C8 P10632 1/20 0.41
CYP2C9 P11712 1/20 0.41
TSHR P16473 1/20 0.41
KCNH2 Q12809 1/20 0.41

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
SCHEMBL3022138 0.94 NPY5R (0.45) CFTRLHCGRHTR2AHTR2COPRK1
SCHEMBL3012867 0.93 NPY5R (0.49) CFTRGRIN2BNPY5REPHX2KMT2A
SCHEMBL3028509 0.92 LHCGR (0.40) CFTRLHCGRHTR2AHTR2COPRK1
SCHEMBL3024734 0.91 CFTR (0.45) CFTRLHCGRHTR2AHTR2COPRK1
SCHEMBL3022685 0.91 NPY5R (0.43) CFTRLHCGRHTR2AHTR2COPRK1
SCHEMBL3026842 0.91 FAAH (0.42) CFTRLHCGRHTR2AHTR2COPRK1
SCHEMBL3023429 0.86 LHCGR (0.40) CFTRLHCGRHTR2AHTR2COPRK1
SCHEMBL3018805 0.82 NAMPT (0.53) TRPM8
SCHEMBL3023606 0.79 NAMPT (0.43) CFTRGRIN2BFAAH
SCHEMBL3022151 0.79 GRIN2B (0.53) CFTRGRIN2BNPC1RAB9ANPY5R

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 CFTR 866/4885LHCGR 893/4885HTR2A 373/4885

“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.