SCHEMBL2632841

SCHEMBL2632841

CCc1nccc(OC)n1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.41
LOX P28300 1/20 0.40
LOXL2 Q9Y4K0 1/20 0.40
MTNR1A P48039 1/20 0.39
MTNR1B P49286 1/20 0.39
NUDT1 P36639 1/20 0.38
PDE10A Q9Y233 6/20 0.37
GRM5 P41594 1/20 0.36
TNKS O95271 1/20 0.34
PARP1 P09874 1/20 0.34
TNKS2 Q9H2K2 1/20 0.34
CCR1 P32246 1/20 0.33
CCR5 P51681 1/20 0.33
CCR8 P51685 1/20 0.33
KDM4E B2RXH2 1/20 0.33

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
SCHEMBL13827585 0.84 PDE10A (0.43) TAAR1LOXLOXL2MTNR1AMTNR1B
SCHEMBL1324112 0.82 SORD (0.46) TAAR1LOXLOXL2MTNR1AMTNR1B
SCHEMBL29442793 0.82 LOX (0.39) TAAR1LOXLOXL2MTNR1AMTNR1B
SCHEMBL3511885 0.82 LOXL2 (0.52) TAAR1LOXLOXL2MTNR1AMTNR1B
SCHEMBL8496930 0.82 LOX (0.39) TAAR1LOXLOXL2MTNR1AMTNR1B
SCHEMBL10332669 0.82 LOX (0.39) TAAR1LOXLOXL2MTNR1AMTNR1B
SCHEMBL28020379 0.81 TAAR1 (0.43) TAAR1LOXLOXL2MTNR1AMTNR1B
SCHEMBL13819913 0.80 NUDT1 (0.43) TAAR1LOXLOXL2MTNR1AMTNR1B
SCHEMBL83512 0.80 PDE10A (0.44) TAAR1PDE10A
SCHEMBL25539772 0.79 MTNR1A (0.39) TAAR1LOXLOXL2MTNR1AMTNR1B

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 38 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024151547-A1 TARGETED DEGRADATION OF VAV1 MONTE ROSA THERAPEUTICS, INC. (US) 2024-07-18 WO disclosed
EP-3774775-B1 4-OXO-3,4-DIHYDROQUINAZOLINE COMPOUNDS AS INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION VIIV HEALTHCARE UK NO 5 LTD (GB) 2023-10-11 EP disclosed
US-20210188843-A1 QUINOLINE COMPOUNDS AND THEIR PREPARATION AND USE AS ANTIMALARIAL AGENTS THE UNITED STATES OF AMERICA,AS REPRESENTED BY THE SECRETARY,DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2021-06-24 US disclosed
US-10851080-B2 Methods of treatment using pyrrolidinyl urea, thiourea, guanidine and cyanoguanidine compounds ARRAY BIOPHARMA INC. (US) 2020-12-01 US disclosed
EP-3101013-B1 FUSED BENZOXAZEPINONES AS ION CHANNEL MODULATORS GILEAD SCIENCES INC (US) 2020-10-21 EP disclosed
EP-3085696-B1 FUSED BENZOXAZEPINONES AS ION CHANNEL MODULATORS GILEAD SCIENCES INC (US) 2020-03-04 EP disclosed
EP-3275870-B1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS GILEAD SCIENCES INC (US) 2020-02-05 EP disclosed
US-20180179182-A1 METHODS OF TREATMENT USING PYRROLIDINYL UREA, THIOUREA, GUANIDINE AND CYANOGUANIDINE COMPOUNDS ARRAY BIOPHARMA INC. (US) 2018-06-28 US disclosed
US-9957271-B2 Substituted bicyclic aza-heterocycles and analogues as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2018-05-01 US disclosed
US-9896435-B2 N-pyrrolidinyl,N′-pyrazolyl-urea, thiourea, guanidine and cyanoguanidine compounds as TrkA kinase inhibitors ARRAY BIOPHARMA INC. (US) 2018-02-20 US disclosed
US-20140135317-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS GILEAD SCIENCES, INC. (US) 2014-05-15 US disclosed
EP-2318377-B1 PYRIMIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE GENENTECH INC (US) 2013-08-21 EP disclosed
US-20130184255-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS GILEAD SCIENCES, INC. (US) 2013-07-18 US disclosed
US-20130012492-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS GILEAD SCIENCES, INC. 2013-01-10 US disclosed
US-20120316188-A1 PREPARATION OF 4-AMINO-THIAZOLES AND 3-AMINO-1,2,4-THIADIAZOLES AND THEIR USE AS ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS BOLEA CHRISTELLE (CH) 2012-12-13 US disclosed
US-8309577-B2 Quinuclidine compounds as α-7 nicotinic acetylcholine receptor ligands BRISTOL-MYERS SQUIBB COMPANY (US) 2012-11-13 US disclosed
US-8163763-B2 Pyrimidine compounds, compositions and methods of use GENENTECH, INC. (US) 2012-04-24 US disclosed
US-20120095001-A1 SUBSTITUTED-1,3,8-TRIAZASPIRO[4.5]DECANE-2,4-DIONES MERCK SHARP & DOHME CORP. (US) 2012-04-19 US disclosed
US-20100099684-A1 Quinuclidine Compounds as Alpha-7 Nicotinic Acetylcholine Receptor Ligands BRISTOL-MYERS SQUIBB COMPANY 2010-04-22 US disclosed
US-20090325964-A1 Piperazine Metabotropic Glutamate Receptor 5 (MGLUR5) Negative Allosteric Modulators For Anxiety/Depression WYETH (US) 2009-12-31 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 (10 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-20100099684-A1 Quinuclidine Compounds as Alpha-7 Nicotinic Acetylcholine Receptor Ligands CHRNA7, CHRNA5, CHRNA6 TAAR1 64/4885LOX 2012/4885LOXL2 4093/4885
US-20130184255-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS KCNJ2, HCN4, KCNJ4 TAAR1 2571/4885LOX 3084/4885LOXL2 3685/4885
US-20120095001-A1 SUBSTITUTED-1,3,8-TRIAZASPIRO[4.5]DECANE-2,4-DIONES HIF1AN, HIF1A, EGLN2 TAAR1 3469/4885LOX 1427/4885LOXL2 2794/4885
US-20090325964-A1 Piperazine Metabotropic Glutamate Receptor 5 (MGLUR5) Negative Allosteric Modulators For Anxiety/Depression GRM5, GRIK5, GRM1 TAAR1 173/4885LOX 4275/4885LOXL2 4176/4885
US-20180179182-A1 METHODS OF TREATMENT USING PYRROLIDINYL UREA, THIOUREA, GUANIDINE AND CYANOGUANIDINE COMPOUNDS RNMT, MTAP, GMPS TAAR1 969/4885LOX 3095/4885LOXL2 4221/4885
US-20130012492-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS KCNJ2, HCN4, KCNJ4 TAAR1 2571/4885LOX 3084/4885LOXL2 3685/4885
US-20140135317-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS KCNJ2, HCN4, KCNJ4 TAAR1 2571/4885LOX 3084/4885LOXL2 3685/4885
US-10851080-B2 Methods of treatment using pyrrolidinyl urea, thiourea, guanidine and cyanoguanidine compounds RNMT, MTAP, GMPS TAAR1 969/4885LOX 3095/4885LOXL2 4221/4885
US-20120316188-A1 PREPARATION OF 4-AMINO-THIAZOLES AND 3-AMINO-1,2,4-THIADIAZOLES AND THEIR USE AS ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS GRM4, GRM1, GRM2 TAAR1 131/4885LOX 3520/4885LOXL2 3989/4885
US-20210188843-A1 QUINOLINE COMPOUNDS AND THEIR PREPARATION AND USE AS ANTIMALARIAL AGENTS GLS2, RECQL, PYGL TAAR1 1722/4885LOX 4264/4885LOXL2 4105/4885

“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.