SCHEMBL6170029

SCHEMBL6170029

O=C1c2ccc(Cl)cc2OC=C(Cl)N1CCCCN1CC=C(c2ccccn2)CC1

nearest known ligand 0.85

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.52
DRD2 P14416 4/20 0.50
HTR1A P08908 1/20 0.45
PARP1 P09874 1/20 0.41

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
SCHEMBL7464916 0.93 DRD2 (0.48) SIGMAR1DRD2HTR1A
Piclozotan SCHEMBL562627 0.92 SIGMAR1 (0.54) SIGMAR1DRD2HTR1A
Piclozotan SCHEMBL29379540 0.92 SIGMAR1 (0.54) SIGMAR1DRD2HTR1A
Piclozotan SCHEMBL30249060 0.92 SIGMAR1 (0.54) SIGMAR1DRD2HTR1A
SCHEMBL7471246 0.91 SIGMAR1 (0.53) SIGMAR1DRD2HTR1A
Piclozotan SCHEMBL3675095 0.90 SIGMAR1 (0.52) SIGMAR1DRD2HTR1A
Piclozotan SCHEMBL3675097 0.90 SIGMAR1 (0.52) SIGMAR1DRD2HTR1A
SCHEMBL7470319 0.90 DRD2 (0.50) SIGMAR1DRD2HTR1A
SCHEMBL7465877 0.90 SIGMAR1 (0.52) SIGMAR1DRD2HTR1A
SCHEMBL7467271 0.89 SIGMAR1 (0.48) SIGMAR1DRD2HTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0966440-B1 METHOD OF PRODUCTION AND METHOD OF SEPARATION OF 2,4'-DIPYRIDYL DERIVATIVES AND METHODS OF PRODUCTION OF BENZOXAZEPINE DERIVATIVES AND SALTS THEREOF DAIICHI SUNTORY PHARMA CO LTD (JP) 2005-11-09 EP disclosed
US-6624308-B2 Cross coupling of 2-halopyridine and 4-halopyridine using nickel complex catalyst DAIICHI SUNTORY PHARMA CO., LTD. (JP) 2003-09-23 US disclosed
US-20030125547-A1 Method of production and method of separation of 2,4'-dipyridyl derivatives and methods of production of benzoxazepine derivatives and salts thereof DAIICHI SANKYO COMPANY, LIMITED (JP) 2003-07-03 US disclosed
EP-0925288-B1 PROCESS OF PRODUCTION OF 4-SUBSTITUTED-3-HALOGENO-1,4-BENZOXAZEPINE DERIVATIVE AND SALTS THEREOF SUNTORY LTD (JP) 2002-09-25 EP disclosed
EP-0755930-B1 BENZOXAZEPINE DERIVATIVES, SALTS THEREOF, AND DRUGS CONTAINING THE SAME SUNTORY LTD (JP) 2002-07-31 EP disclosed
US-6337397-B1 A BENZOXAZEPINE DERIVATIVE FOR TREATMENT OF ANXIETY NEUROSIS, PHOBIAS, OBSESSIVE-COMPULSIVE DISORDERS, SCHIZOPHRENIA, POST-CARDIAC TRAUMA STRESS DISORDERS, DEPRESSION DISORDERS, PSYCHOSOMATIC DISORDERS AND OTHER PSYCHONEUROTIC DISORDERS, SUNTORY LIMITED (JP) 2002-01-08 US disclosed
US-6187769-B1 Benzoxazepine derivatives and their salts and medicaments containing the same SUNTORY LIMITED (JP) 2001-02-13 US disclosed
US-6114522-A DEPROTONIZING A BEZOXAZEPINE DERIVATIVE WITH A BASE, REACTING THE DEPROTONIZED PRODUCT WITH A PHOSPHATE HALIDE TO PRODUCE AN INTERMEDIATE, REACTING INTERMEDIATE WITH A COMPLEX OF HALOGEN AND TRIALKYL OR ARYL PHOSPHINE SUNTORY LIMITED (JP) 2000-09-05 US disclosed
US-6096884-A CROSS COUPLING REACTION OF A 2-HALOPYRIDINE DERIVATIVE AND A 4-HALOPYRIDINE USING A NICKEL COMPLEX CATALYST SUNTORY LIMITED (JP) 2000-08-01 US disclosed
EP-0755930-A1 BENZOXAZEPINE DERIVATIVES, SALTS THEREOF, AND DRUGS CONTAINING THE SAME SUNTORY LIMITED (JP) 1997-01-29 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-20030125547-A1 Method of production and method of separation of 2,4'-dipyridyl derivatives and methods of production of benzoxazepine derivatives and salts thereof WIZ, HELZ, HPD SIGMAR1 735/4885DRD2 524/4885HTR1A 3997/4885

“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.