SCHEMBL4593095

SCHEMBL4593095

COc1ccc2cc(Br)cc(CC#N)c2c1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.40
MTNR1A P48039 7/20 0.39
NQO1 P15559 1/20 0.38
PKM P14618 1/20 0.37
CSNK2A1 P68400 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2A6 P11509 1/20 0.36
TSHR P16473 1/20 0.36
HBB P68871 1/20 0.36
HSD17B10 Q99714 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
HTR2C P28335 1/20 0.36
HTR2B P41595 1/20 0.36
MTNR1B P49286 1/20 0.36

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
SCHEMBL19799069 0.80 PKM (0.39) HTR2AMTNR1ANQO1PKMTSHR
SCHEMBL4593009 0.79 HTR2C (0.57) HTR2AMTNR1ANQO1PKMTSHR
SCHEMBL30449882 0.79 HTR2A (0.58) HTR2AMTNR1AHTR2CHTR2BMTNR1B
SCHEMBL989652 0.79 HTR2A (0.58) HTR2AMTNR1AHTR2CHTR2BMTNR1B
SCHEMBL28070559 0.79 HTR2A (0.58) HTR2AMTNR1AHTR2CHTR2BMTNR1B
SCHEMBL28852792 0.77 HTR2A (0.53) HTR2AMTNR1AHTR2CHTR2BMTNR1B
SCHEMBL3009652 0.77 MEN1 (0.46) NQO1CYP1A2CYP2A6HSD17B10L3MBTL1
SCHEMBL4592773 0.77 HTR2C (0.58) HTR2AMTNR1APKMTSHRHTR2C
SCHEMBL5179342 0.77 PDE10A (0.50) HTR2ANQO1CYP1A2
SCHEMBL29175430 0.76 APLNR (0.41) HTR2ANQO1PKMCSNK2A1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1900723-A1 New naphthalene derivatives, method of preparing same and pharmaceutical compositions containing them Les Laboratoires Servier (FR) 2008-03-19 EP disclosed
US-20080004348-A1 Naphthalene compounds LES LABORATOIRES SERVIER (FR) 2008-01-03 US disclosed
WO-2008000969-A1 NOVEL NAPHTHALENIC DERIVATIVES, METHOD FOR THE PREPARATION THEREOF, AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME LES LABORATOIRES SERVIER (FR) 2008-01-03 WO 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-20080004348-A1 Naphthalene compounds MTNR1A, MTNR1B, CNR1 HTR2A 120/4885MTNR1A 1/4885NQO1 45/4885

“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.