SCHEMBL6170966

SCHEMBL6170966

CC1=COc2ccccc2C(=O)N1CCCCBr

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.39
PKM P14618 1/20 0.39
TSHR P16473 1/20 0.39
HDAC3 O15379 1/20 0.39
TUBB4A P04350 1/20 0.39
TUBB P07437 1/20 0.39
TUBA3C P0DPH7 1/20 0.39
HDAC4 P56524 1/20 0.39
TUBA1B P68363 1/20 0.39
TUBA4A P68366 1/20 0.39
TUBB4B P68371 1/20 0.39
TUBB3 Q13509 1/20 0.39
HDAC1 Q13547 1/20 0.39
TUBB2A Q13885 1/20 0.39
TUBB8 Q3ZCM7 1/20 0.39
TUBA3E Q6PEY2 1/20 0.39
TUBA1A Q71U36 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC10 Q969S8 1/20 0.39

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
SCHEMBL7472428 0.99 TDP1 (0.40) HDAC3TUBB4ATUBBTUBA3CHDAC4
SCHEMBL7468973 0.85 MAPT (0.39)
SCHEMBL7467871 0.84 CHRM2 (0.40) POLBHDAC3HDAC4HDAC1HDAC7
SCHEMBL7466742 0.84 CHRM2 (0.40) POLBHDAC3HDAC4HDAC1HDAC7
SCHEMBL7477559 0.83 CHRM2 (0.42) POLBHDAC3HDAC4HDAC1HDAC7
SCHEMBL7464083 0.83 TDP1 (0.43) HDAC3TUBB4ATUBBTUBA3CHDAC4
SCHEMBL7469938 0.82 PARK7 (0.35)
SCHEMBL7468519 0.81 MEN1 (0.39) HDAC3TUBB4ATUBBTUBA3CHDAC4
SCHEMBL7470345 0.78 HTR1A (0.66) TDP1L3MBTL1
SCHEMBL7467468 0.76 HTR1A (0.68)

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 8 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-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-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 POLB 2120/4885PKM 2826/4885TSHR 3103/4885

“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.