SCHEMBL10272047

SCHEMBL10272047

CCc1cc(-c2cccnc2OC)ccn1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ LOXL2 Q9Y4K0 1/20 0.48
▸ ALOX5AP P20292 1/20 0.44
▸ FEN1 P39748 1/20 0.44
▸ METAP2 P50579 2/20 0.42
▸ CHRNA7 P36544 1/20 0.42
▸ BTK Q06187 1/20 0.41
▸ FFAR4 Q5NUL3 1/20 0.41
▸ RORC P51449 1/20 0.40
▸ SREBF2 Q12772 2/20 0.40
▸ DHODH Q02127 1/20 0.40
▸ GRM5 P41594 1/20 0.40
▸ GRM1 Q13255 1/20 0.40
▸ PTGES2 Q9H7Z7 1/20 0.40
▸ NAAA Q02083 2/20 0.39
▸ DHFR P00374 1/20 0.39
▸ SREBF1 P36956 1/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ RAB9A P51151 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
SCHEMBL28590150 0.81 LOXL2 (0.47) LOXL2ALOX5APFEN1METAP2BTK
SCHEMBL6844999 0.80 DYRK1A (0.51) LOXL2ALOX5APFEN1BTKFFAR4
SCHEMBL558935 0.78 ALOX5AP (0.55) LOXL2ALOX5APFEN1CHRNA7BTK
SCHEMBL28590511 0.78 LOXL2 (0.47) LOXL2ALOX5APFEN1METAP2BTK
SCHEMBL29501236 0.77 BTK (0.50) LOXL2ALOX5APFEN1BTKFFAR4
SCHEMBL10220681 0.76 LOXL2 (0.45) LOXL2ALOX5APFEN1METAP2BTK
SCHEMBL31555358 0.74 CYP1A2 (0.52) SREBF2SREBF1
SCHEMBL233226 0.74 DHODH (0.46) LOXL2ALOX5APFEN1METAP2BTK
SCHEMBL13422264 0.73 DHODH (0.53) LOXL2ALOX5APFEN1BTKFFAR4
SCHEMBL17826989 0.73 CYP2A6 (0.42) SREBF2SREBF1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150342935-A1 QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS BRISTOL MYERS SQUIBB CO (US) 2015-12-03 — — US disclosed
US-20130131064-A1 Quinuclidine Compounds as Alpha-7 Nicotinic Acetylcholine Receptor Ligands BRISTOL-MYERS SQUIBB COMPANY (US) 2013-05-23 — — US disclosed
US-20120035178-A1 Quinuclidine Compounds as Alpha-7 Nicotinic Acetylcholine Receptor Ligands BRISTOL-MYERS SQUIBB COMPANY 2012-02-09 — — US disclosed
US-20120035189-A1 Quinuclidine Compounds as Alpha-7 Nicotinic Acetylcholine Receptor Ligands BRISTOL-MYERS SQUIBB COMPANY 2012-02-09 — — US disclosed
US-7863291-B2 Quinuclidine compounds as alpha-7 nicotinic acetylcholine receptor ligands BRISTOL-MYERS SQUIBB COMPANY (US) 2011-01-04 — — US disclosed
US-20090270405-A1 QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS BRISTOL-MYERS SQUIBB COMPANY 2009-10-29 — — 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 (5 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-20120035189-A1 Quinuclidine Compounds as Alpha-7 Nicotinic Acetylcholine Receptor Ligands CHRNA7, CHRNA5, CHRNA6 LOXL2 4093/4885ALOX5AP 3927/4885FEN1 4615/4885
US-20120035178-A1 Quinuclidine Compounds as Alpha-7 Nicotinic Acetylcholine Receptor Ligands CHRNA7, CHRNA5, CHRNA6 LOXL2 4093/4885ALOX5AP 3927/4885FEN1 4615/4885
US-20090270405-A1 QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS CHRNA7, CHRNA5, CHRNA6 LOXL2 4093/4885ALOX5AP 3927/4885FEN1 4615/4885
US-20130131064-A1 Quinuclidine Compounds as Alpha-7 Nicotinic Acetylcholine Receptor Ligands CHRNA7, CHRNA5, CHRNA6 LOXL2 4093/4885ALOX5AP 3927/4885FEN1 4615/4885
US-20150342935-A1 QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS CHRNA7, CHRNA5, CHRNA6 LOXL2 4093/4885ALOX5AP 3927/4885FEN1 4615/4885

“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.

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