SCHEMBL3626527

SCHEMBL3626527

OCC1=CCc2ccccc2O1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.43
MAOB P27338 2/20 0.43
GAA P10253 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
NPC1 O15118 1/20 0.32
LMNA P02545 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HTR6 P50406 1/20 0.31

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
SCHEMBL9773035 0.85 MAOA (0.41) MAOAMAOBGAANPSR1NPC1
SCHEMBL7217002 0.82 MAOA (0.45) MAOAMAOBGAANPSR1NPC1
SCHEMBL10350240 0.82 MAOA (0.38) MAOAMAOBGAANPSR1
SCHEMBL295051 0.81 MAOA (0.43) MAOAMAOBGAANPSR1NPC1
SCHEMBL9935109 0.81 MAOA (0.43) MAOAMAOBGAANPSR1NPC1
SCHEMBL4206535 0.81 MAOA (0.43) MAOAMAOBGAANPSR1NPC1
SCHEMBL8663951 0.79 AKR1B1 (0.38) MAOAMAOBGAANPSR1LMNA
SCHEMBL295013 0.78 MAOA (0.41) MAOAMAOBGAANPSR1NPC1
SCHEMBL10645704 0.78 MAOA (0.41) MAOAMAOBGAANPSR1NPC1
SCHEMBL8972473 0.77 MAOA (0.39) MAOAMAOBGAANPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1737847-A2 NEBIVOLOL AND ITS PHARMACEUTICALLY ACCEPTABLE SALTS, PROCESS FOR PREPARATION AND PHARMACEUTICAL COMPOSITIONS OF NEBIVOLOL Torrent Pharmaceuticals Ltd (IN) 2007-01-03 EP claimed
WO-2006025070-A2 NEBIVOLOL AND ITS PHARMACEUTICALLY ACCEPTABLE SALTS, PROCESS FOR PREPARATION AND PHARMACEUTICAL COMPOSITIONS OF NEBIVOLOL TORRENT PHARMACEUTICALS LIMITED (IN) 2006-03-09 WO claimed
EP-0334429-A1 Agents for lowering the blood pressure JANSSEN PHARMACEUTICA N.V. (BE) 1989-09-27 EP claimed
EP-0052731-B1 CHROMAN DERIVATIVES AND METHOD FOR THEIR PREPARATION BASF Aktiengesellschaft (DE) 1985-04-17 EP claimed
EP-0052731-A1 Chroman derivatives and method for their preparation BASF Aktiengesellschaft (DE) 1982-06-02 EP claimed
EP-2236510-A1 PROCESS FOR ISOLATION OF A MIXTURE OF RRRS AND SSSR CONFIGURATIONS OF NEBIVOLOL INTERMEDIATES Shanghai Modern Pharmaceutical Co., Ltd. (CN) 2010-10-06 EP disclosed
EP-1940441-A2 METHODS AND COMPOSITIONS FOR THE TREATMENT OF GASTROINTESTINAL DISORDERS Microbia, Inc. (US) 2008-07-09 EP disclosed
WO-2007022531-A9 METHODS AND COMPOSITIONS FOR THE TREATMENT OF GASTROINTESTINAL DISORDERS MICROBIA INC (US) 2007-04-19 WO disclosed
WO-2007022531-A2 METHODS AND COMPOSITIONS FOR THE TREATMENT OF GASTROINTESTINAL DISORDERS MICROBIA, INC. (US) 2007-02-22 WO disclosed
EP-1742939-A2 NOVEL ALKYNE COMPOUNDS EXHIBITING AN MCH ANTAGONISTIC EFFECT AND DRUGS CONTAINING SAID COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-01-17 EP disclosed
EP-1737847-A2 NEBIVOLOL AND ITS PHARMACEUTICALLY ACCEPTABLE SALTS, PROCESS FOR PREPARATION AND PHARMACEUTICAL COMPOSITIONS OF NEBIVOLOL Torrent Pharmaceuticals Ltd (IN) 2007-01-03 EP disclosed
WO-2006025070-A2 NEBIVOLOL AND ITS PHARMACEUTICALLY ACCEPTABLE SALTS, PROCESS FOR PREPARATION AND PHARMACEUTICAL COMPOSITIONS OF NEBIVOLOL TORRENT PHARMACEUTICALS LIMITED (IN) 2006-03-09 WO disclosed
US-20050267120-A1 Alkyne compounds with MCH antagonistic activity and medicaments comprising these compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-12-01 US disclosed
WO-2005100285-A2 NOVEL ALKYNE COMPOUNDS EXHIBITING AN MCH ANTAGONISTIC EFFECT AND DRUGS CONTAINING SAID COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-10-27 WO disclosed
EP-0334429-A1 Agents for lowering the blood pressure JANSSEN PHARMACEUTICA N.V. (BE) 1989-09-27 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 (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-20050267120-A1 Alkyne compounds with MCH antagonistic activity and medicaments comprising these compounds MCHR1, GPR119, MCHR2 MAOA 642/4885MAOB 420/4885GAA 684/4885

“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.