SCHEMBL4476083

SCHEMBL4476083

O=C1c2ccccc2C(=O)N1CC=CCN1C(=O)c2ccccc2C1=O

nearest known ligand 0.71

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 2/20 0.60
CA12 O43570 1/20 0.52
CA9 Q16790 1/20 0.52
GLS O94925 1/20 0.52
ALDH1A1 P00352 2/20 0.48
ALDH3A1 P30838 1/20 0.47
RCE1 Q9Y256 1/20 0.47
DRD3 P35462 1/20 0.46

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
SCHEMBL8950475 1.00 CASP3 (0.60) CASP3CA12CA9GLSALDH1A1
SCHEMBL4468251 1.00 CASP3 (0.60) CASP3CA12CA9GLSALDH1A1
SCHEMBL21901972 0.92 CASP3 (0.53) CASP3CA12CA9GLSALDH1A1
SCHEMBL2319856 0.90 CASP3 (0.51) CASP3CA12CA9GLSALDH1A1
SCHEMBL9761279 0.90 CASP3 (0.51) CASP3CA12CA9GLSALDH1A1
SCHEMBL25302148 0.90 CASP3 (0.51) CASP3CA12CA9GLSALDH1A1
SCHEMBL9761288 0.90 CASP3 (0.51) CASP3CA12CA9GLSALDH1A1
SCHEMBL644937 0.90 CASP3 (0.51) CASP3CA12CA9GLSALDH1A1
SCHEMBL23077378 0.90 CASP3 (0.51) CASP3CA12CA9GLSALDH1A1
SCHEMBL12439955 0.90 CASP3 (0.51) CASP3CA12CA9GLSALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10563009-B2 Process to produce a polyolefin reactive telechelic pre-polymer DOW GLOBAL TECHNOLOGIES LLC (US) 2020-02-18 US disclosed
EP-3087104-B1 METHOD FOR CONTROLLED METATHESIS DEPOLYMERIZATION OF NATURAL RUBBER FROM NATURAL RUBBER LATEX MICHELIN & CIE (FR) 2019-11-13 EP disclosed
US-20180162998-A1 A POLYOLEFIN REACTIVE TELECHELIC PRE-POLYMER DOW GLOBAL TECHNOLOGIES LLC (US) 2018-06-14 US disclosed
US-20180134840-A1 PROCESS TO PRODUCE A POLYOLEFIN REACTIVE TELECHELIC PRE-POLYMER DOW GLOBAL TECHNOLOGIES LLC (US) 2018-05-17 US disclosed
EP-3303443-A1 A PROCESS TO PRODUCE A POLYOLEFIN REACTIVE TELECHELIC PRE-POLYMER Dow Global Technologies LLC (US) 2018-04-11 EP disclosed
EP-3303442-A1 A POLYOLEFIN REACTIVE TELECHELIC PRE-POLYMER Dow Global Technologies LLC (US) 2018-04-11 EP disclosed
WO-2016191688-A1 A PROCESS TO PRODUCE A POLYOLEFIN REACTIVE TELECHELIC PRE-POLYMER DOW GLOBAL TECHNOLOGIES LLC (US) 2016-12-01 WO disclosed
WO-2016191692-A1 A POLYOLEFIN REACTIVE TELECHELIC PRE-POLYMER DOW GLOBAL TECHNOLOGIES LLC (US) 2016-12-01 WO disclosed
EP-3087103-A1 METHOD FOR METATHESIS DEPOLYMERIZATION OF NATURAL RUBBER IN A SOLUTION Compagnie Générale des Etablissements Michelin (FR) 2016-11-02 EP disclosed
WO-2015097194-A1 METHOD FOR METATHESIS DEPOLYMERIZATION OF NATURAL RUBBER IN A SOLUTION COMPAGNIE GENERALE DES ETABLISSEMENTS MICHELIN (FR) 2015-07-02 WO disclosed
EP-1846365-A1 DIAMINE CALCIUM CHANNEL BLOCKERS Neuromed Pharmaceuticals, Ltd. (CA) 2007-10-24 EP disclosed
WO-2006084369-A9 DIAMINE CALCIUM CHANNEL BLOCKERS NEUROMED PHARMACEUTICALS LTD (CA) 2007-01-11 WO disclosed
US-20060235050-A1 Diamine calcium channel blockers NUEROMED TECHNOLOGIES, INC. (CA) 2006-10-19 US disclosed
WO-2006084369-A1 DIAMINE CALCIUM CHANNEL BLOCKERS NEUROMED PHARMACEUTICALS LTD. (CA) 2006-08-17 WO disclosed
US-5556968-A Polyazamacrocycle chelating agents with amide linkages NYCOMED SALUTAR, INC. (US) 1996-09-17 US disclosed
US-5461079-A Applying 2-butene-1,4-diamine to plants BRITISH TECHNOLOGY GROUP LIMITED (GB) 1995-10-24 US disclosed
EP-0588825-A1 ANTIFUNGAL COMPOUNDS BTG INTERNATIONAL LIMITED (GB) 1994-03-30 EP disclosed
EP-0556240-A1 CHELATING AGENTS. COCKBAIN JULIAN R M (GB) 1993-08-25 EP disclosed
WO-1992021235-A1 ANTIFUNGAL COMPOUNDS BRITISH TECHNOLOGY GROUP LTD. (GB) 1992-12-10 WO disclosed
WO-1992008707-A1 CHELATING AGENTS COCKBAIN, JULIAN, RODERICK, MICHAELSON (GB) 1992-05-29 WO 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-20060235050-A1 Diamine calcium channel blockers CACNA1G, CACNA1H, CACNA1I CASP3 2170/4885CA12 2717/4885CA9 1953/4885

“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.