SCHEMBL6168817

SCHEMBL6168817

O=C1c2ccc(Cl)cc2OC=C(Cl)N1CCCCN1CCC(c2ccccn2)CC1

nearest known ligand 0.69

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 6/20 0.43
DRD2 P14416 3/20 0.43
HTR1A P08908 2/20 0.43
HTR2A P28223 2/20 0.43
HTR2C P28335 2/20 0.43
HTR7 P34969 2/20 0.43
DRD3 P35462 2/20 0.43
SLC6A4 P31645 1/20 0.43
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42

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
SCHEMBL7471727 0.93 DRD4 (0.43) DRD4DRD2HTR1AHTR2AHTR2C
SCHEMBL6169077 0.92 HTR1A (0.44) DRD4DRD2HTR1AHTR2AHTR7
SCHEMBL7466661 0.90 DRD4 (0.46) DRD4DRD2HTR1AHTR2AHTR2C
SCHEMBL7472225 0.90 HTR1A (0.41) DRD4DRD2HTR1AHTR2AHTR2C
SCHEMBL7472750 0.90 DRD4 (0.42) DRD4DRD2HTR1ADRD3
SCHEMBL7470359 0.84 HTR1A (0.58) DRD4DRD2HTR1AHTR2AHTR2C
SCHEMBL7469271 0.83 DRD4 (0.46) DRD4DRD2HTR1AHTR2AHTR2C
SCHEMBL7470809 0.82 HTR1A (0.46) HTR1A
SCHEMBL7468337 0.82 HTR1A (0.59) DRD2HTR1AHTR2AHTR7
SCHEMBL7469687 0.82 DRD4 (0.44) DRD4HTR1AHTR7DRD3

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 9 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
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 DRD4 402/4885DRD2 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.