SCHEMBL3023429

SCHEMBL3023429

O=C(Nc1ccc(Oc2ccc(F)cc2)cc1)N1CC2CC1CN2C1CCc2cc(F)ccc2C1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LHCGR P22888 3/20 0.40
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
OPRK1 P41145 1/20 0.40
HTR2B P41595 1/20 0.40
TMEM97 Q5BJF2 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
NAMPT P43490 3/20 0.39
ALDH1A1 P00352 1/20 0.39
KMT2A Q03164 2/20 0.39
NPY5R Q15761 1/20 0.39
THRB P10828 1/20 0.39
ALOX12 P18054 1/20 0.39
FAAH O00519 2/20 0.39
CYP2C8 P10632 1/20 0.38
CYP2C9 P11712 1/20 0.38
TSHR P16473 1/20 0.38
KCNH2 Q12809 1/20 0.38
MCHR1 Q99705 1/20 0.37
EPHX2 P34913 1/20 0.37

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 0.93 NPY5R (0.45) LHCGRHTR2AHTR2COPRK1HTR2B
SCHEMBL3028509 0.92 LHCGR (0.40) LHCGRHTR2AHTR2COPRK1HTR2B
SCHEMBL3022685 0.88 NPY5R (0.43) LHCGRHTR2AHTR2COPRK1HTR2B
SCHEMBL3026582 0.87 TRPM8 (0.44) NAMPT
SCHEMBL3022934 0.86 CFTR (0.44) LHCGRHTR2AHTR2COPRK1HTR2B
SCHEMBL3019137 0.85 LHCGR (0.42) LHCGRHTR2AHTR2COPRK1HTR2B
SCHEMBL3022615 0.83 SMN1; SMN2 (0.41) HTR2CALDH1A1KCNH2MCHR1
SCHEMBL3024734 0.82 CFTR (0.45) LHCGRHTR2AHTR2COPRK1HTR2B
SCHEMBL4748618 0.80 DRD2 (0.36) HTR2AHTR2CHTR2BALDH1A1FAAH
SCHEMBL3012867 0.79 NPY5R (0.49) NAMPTKMT2ANPY5RFAAHCYP2C9

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 LHCGR 893/4885HTR2A 373/4885HTR2C 496/4885

“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.