SCHEMBL5482041

SCHEMBL5482041

O=C1CCCC(C[N+](=O)[O-])C1

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.36
NOS1 P29475 1/20 0.36
NOS2 P35228 1/20 0.36
THRB P10828 1/20 0.34
MAPT P10636 1/20 0.32
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 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
SCHEMBL14246980 1.00 NOS3 (0.36) NOS3NOS1NOS2THRBMAPT
SCHEMBL19576613 1.00 NOS3 (0.36) NOS3NOS1NOS2THRBMAPT
SCHEMBL9833852 0.88 NOS3 (0.34) NOS3NOS1NOS2
SCHEMBL9452653 0.74
SCHEMBL28982087 0.74
SCHEMBL497088 0.72 TSHR (0.36) NOS3NOS1NOS2
SCHEMBL18924168 0.72 TSHR (0.36) NOS3NOS1NOS2
SCHEMBL18202924 0.72 TSHR (0.36) NOS3NOS1NOS2
SCHEMBL9207187 0.71
SCHEMBL51641 0.71

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0430771-B1 Isoindolone derivatives, their preparation and their use as intermediates for the preparation of substance P antagonists RHONE POULENC SANTE (FR) 1994-07-20 EP claimed
EP-0430771-A1 Isoindolone derivatives, their preparation and their use as intermediates for the preparation of substance P antagonists RHONE-POULENC SANTE (FR) 1991-06-05 EP claimed
WO-2024011214-A1 THERAPEUTIC COMPOUNDS AND METHODS ACTIO BIOSCIENCES, INC. (US) 2024-01-11 WO disclosed
EP-3452485-B1 ARGINASE INHIBITORS AND THEIR THERAPEUTIC APPLICATIONS ONCOARENDI THERAPEUTICS SA (PL) 2020-09-09 EP disclosed
EP-2720697-B1 TRPV4 ANTAGONISTS GLAXOSMITHKLINE IP NO 2 LTD (GB) 2016-07-20 EP disclosed
US-8927585-B2 TRPV4 antagonists GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2015-01-06 US disclosed
US-8790548-B2 Carbonaceous materials UNIVERSITY OF YORK (GB) 2014-07-29 US disclosed
US-8790548-B2 Carbonaceous materials UNIVERSITY OF YORK (GB) 2014-07-29 US disclosed
US-20140135369-A1 TRPV4 ANTAGONISTS GlaxoSmith Kline,LLC (US) 2014-05-15 US disclosed
EP-2720697-A1 TRPV4 ANTAGONISTS Glaxosmithkline Intellectual Property (No. 2) Limited (GB) 2014-04-23 EP disclosed
CN-101597286-B Organic catalyst containing primary amine, tertiary amine and urea or thiourea and preparation method thereof DALIAN CHEMICAL PHYSICS INST 2013-04-03 CN disclosed
WO-2006080043-A2 ORGANIC COMPOUNDS USEFUL FOR THE TREATMENT OF ALZHEIMER'S DISEASE, THEIR USE AND METHOD OF PREPARATION ALMA MATER STUDIORUM- UNIVERSITA' DI BOLOGNA (IT) 2006-08-03 WO disclosed
EP-0430771-B1 Isoindolone derivatives, their preparation and their use as intermediates for the preparation of substance P antagonists RHONE POULENC SANTE (FR) 1994-07-20 EP disclosed
EP-0430771-A1 Isoindolone derivatives, their preparation and their use as intermediates for the preparation of substance P antagonists RHONE-POULENC SANTE (FR) 1991-06-05 EP disclosed
EP-0242518-B1 Cycloalkano[1,2-b]indole-sulfonamides BAYER AG (DE) 1991-04-10 EP disclosed
US-4988820-A Inhibiting platelet aggregation, anticoagulants, thromboxane a2 antagonist BAYER AKTIENGESELLSCHAFT (DE) 1991-01-29 US disclosed
US-4965258-A Anticoagulant; thromboxane a2 antagonist BAYER AKTIENGESELLSCHAFT (DE) 1990-10-23 US disclosed
US-4904797-A REACTING A (BENZENESULFONAMIDOALKYL)CYCLOALKANO(1,2-B)INDOLE WITH ACRYLONITRILE; HYDROLYSIS, HYDROGENATION, REDUCTION BAYER AKTIENGESELLSCHAFT (DE) 1990-02-27 US disclosed
US-4827032-A INTERMEDIATES FOR ANTICOAGULANTS BAYER AKTIENGESELLSCHAFT (DE) 1989-05-02 US disclosed
EP-0242518-A1 Cycloalkano[1,2-b]indole-sulfonamides BAYER AG (DE) 1987-10-28 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-20140135369-A1 TRPV4 ANTAGONISTS TRPV4, TRPV3, TRPV5 NOS3 3378/4885NOS1 4256/4885NOS2 4260/4885

“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.