SCHEMBL2276512

SCHEMBL2276512

COc1ccc(COc2ccc(C#N)cc2)cc1

nearest known ligand 0.68

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.68
APP P05067 7/20 0.62
MAOA P21397 1/20 0.61
RAB9A P51151 2/20 0.60
CYP19A1 P11511 1/20 0.59
NPC1 O15118 1/20 0.56
POLB P06746 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
FFAR1 O14842 1/20 0.53
HRH3 Q9Y5N1 1/20 0.52

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
SCHEMBL29741480 0.90 MAOB (0.81) MAOBAPPMAOARAB9ACYP19A1
SCHEMBL18664184 0.90 MAOB (0.81) MAOBAPPMAOARAB9ACYP19A1
SCHEMBL23541194 0.89 MAOB (0.59) MAOBAPPMAOARAB9ACYP19A1
SCHEMBL20000873 0.86 APP (0.80) MAOBAPPRAB9ANPC1POLB
SCHEMBL23235799 0.85 MAOB (0.51) MAOBAPPMAOARAB9ACYP19A1
SCHEMBL13232462 0.85 MAOB (0.68) MAOBMAOARAB9ACYP19A1NPC1
SCHEMBL16604318 0.85 MAOB (0.68) MAOBMAOARAB9ACYP19A1NPC1
SCHEMBL14163886 0.85 CYP2A6 (0.70) MAOBAPPMAOARAB9AHRH3
SCHEMBL7316077 0.85 MAOB (0.65) MAOBMAOACYP19A1POLB
SCHEMBL20053881 0.85 MAOB (0.65) MAOBMAOACYP19A1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190161439-A1 MARINE SESSILE ORGANISM-REPELLING COMPOSITION BASSERU CHEMICAL CO., LTD. (JP) 2019-05-30 US disclosed
EP-3309145-A1 MARINE PERIPHYTON REPELLENT COMPOSITION Basseru Chemical Co., Ltd. (JP) 2018-04-18 EP disclosed
US-20180072657-A1 MARINE SESSILE ORGANISM-REPELLING COMPOSITION BASSERU CHEMICAL CO., LTD. (JP) 2018-03-15 US disclosed
US-20180072657-A1 MARINE SESSILE ORGANISM-REPELLING COMPOSITION BASSERU CHEMICAL CO., LTD. (JP) 2018-03-15 US disclosed
EP-2066329-B1 SYNTHESIS, METHODS OF USING, AND COMPOSITIONS OF CYCLOBUTYLMETHYLAMINES REVIVA PHARMACEUTICALS INC (US) 2017-09-06 EP disclosed
US-9302981-B2 Synthesis, methods of using, and compositions of cycloalkylmethylamines REVIVA PHARMACEUTICALS, INC. (US) 2016-04-05 US disclosed
US-20140194508-A1 SYNTHESIS, METHODS OF USING, AND COMPOSITIONS OF CYCLOALKYLMETHYLAMINES REVIVA PHARMACEUTICALS, INC. (US) 2014-07-10 US disclosed
US-8669285-B2 Synthesis, methods of using, and compositions of cycloalkylmethylamines REVIVA PHARMACEUTICALS, INC. (US) 2014-03-11 US disclosed
US-20130231386-A1 SYNTHESIS, METHODS OF USING, AND COMPOSITIONS OF CYCLOALKYLMETHYLAMINES REVIVA PHARMACEUTICALS, INC. (US) 2013-09-05 US disclosed
US-8445714-B2 Cycloalkylmethylamines REVIVA PHARMACEUTICALS, INC. (US) 2013-05-21 US disclosed
US-20110263704-A1 Methods of Using Cycloalkylmethylamines REVIVA PHARMACEUTICALS, INC. (US) 2011-10-27 US disclosed
US-20110263877-A1 Cycloalkylmethylamines REVIVA PHARMACEUTICALS, INC. (US) 2011-10-27 US disclosed
US-7989500-B2 Synthesis, methods of using, and compositions of cycloalkylmethylamines REVIVA PHARMACEUTICALS, INC. (US) 2011-08-02 US disclosed
EP-2066329-A2 SYNTHESIS, METHODS OF USING, AND COMPOSITIONS OF CYCLOALKYLMETHYLAMINES Reviva Pharmaceuticals, Inc. (US) 2009-06-10 EP disclosed
US-20080139663-A1 Cycloalkylmethylamine analogs; use treating obesity or related co-morbid indications REVIVA PHARMACEUTICALS, INC. 2008-06-12 US disclosed
WO-2008034142-A2 SYNTHESIS, METHODS OF USING, AND COMPOSITIONS OF CYCLOALKYLMETHYLAMINES REVIVA PHARMACEUTICALS, INC. (US) 2008-03-20 WO disclosed
EP-0641770-B1 NOVEL COMPOUND WITH PLATELET AGGREGATION INHIBITOR ACTIVITY MEIJI SEIKA CO (JP) 1998-05-13 EP disclosed
US-5698692-A INHIBIT BINDING BETWEEN PLATELET MEMBRANE GLYCOPROTEIN AND FIBRINOGEN MEIJI SEIKA KABUSHIKI KAISHA (JP) 1997-12-16 US disclosed
US-5594004-A CARDIOVASCULAR DISORDERS AND ANTICOAGULANTS MEIJI SEIKA KABUSHIKI KAISHA (JP) 1997-01-14 US disclosed
EP-0641770-A1 NOVEL COMPOUND WITH PLATELET AGGREGATION INHIBITOR ACTIVITY MEIJI SEIKA KABUSHIKI KAISHA (JP) 1995-03-08 EP 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 (7 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-20180072657-A1 MARINE SESSILE ORGANISM-REPELLING COMPOSITION CCL11, SPTLC3, C3AR1 MAOB 2329/4885APP 4609/4885MAOA 2644/4885
US-20110263704-A1 Methods of Using Cycloalkylmethylamines AADAC, PNMT, INMT MAOB 141/4885APP 3464/4885MAOA 94/4885
US-20190161439-A1 MARINE SESSILE ORGANISM-REPELLING COMPOSITION CCL11, SPTLC3, C3AR1 MAOB 2329/4885APP 4609/4885MAOA 2644/4885
US-20140194508-A1 SYNTHESIS, METHODS OF USING, AND COMPOSITIONS OF CYCLOALKYLMETHYLAMINES AADAC, INMT, AADAT MAOB 171/4885APP 2894/4885MAOA 98/4885
US-20080139663-A1 Cycloalkylmethylamine analogs; use treating obesity or related co-morbid indications AADAC, GPR119, MC4R MAOB 183/4885APP 3918/4885MAOA 145/4885
US-20110263877-A1 Cycloalkylmethylamines AADAC, GPR119, INMT MAOB 185/4885APP 3352/4885MAOA 122/4885
US-20130231386-A1 SYNTHESIS, METHODS OF USING, AND COMPOSITIONS OF CYCLOALKYLMETHYLAMINES AADAC, INMT, AADAT MAOB 171/4885APP 2894/4885MAOA 98/4885

“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.