SCHEMBL4806889

SCHEMBL4806889

COc1ccc(CCN2CCC[C@@H](Cl)C2)cc1

nearest known ligand 0.66

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.66
SIGMAR1 Q99720 2/20 0.60
NPC1 O15118 3/20 0.52
RAB9A P51151 3/20 0.52
MAOA P21397 1/20 0.51
MAOB P27338 1/20 0.51
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
GAA P10253 1/20 0.50

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
SCHEMBL4806896 1.00 HRH3 (0.66) HRH3SIGMAR1NPC1RAB9AMAOA
SCHEMBL7355512 1.00 HRH3 (0.66) HRH3SIGMAR1NPC1RAB9AMAOA
SCHEMBL6802109 0.96 HRH3 (0.68) HRH3SIGMAR1NPC1RAB9AMAOA
SCHEMBL6798708 0.88 HRH3 (0.57) HRH3SIGMAR1
SCHEMBL7359013 0.84 HRH3 (0.69) HRH3SIGMAR1MEN1KMT2A
SCHEMBL7359002 0.84 HRH3 (0.69) HRH3SIGMAR1MEN1KMT2A
SCHEMBL8938233 0.83 HRH3 (0.66) HRH3SIGMAR1NPC1RAB9AMAOA
Hydrochloric Acid SCHEMBL9752578 0.83 HRH3 (0.67) HRH3SIGMAR1MEN1KMT2A
SCHEMBL7351513 0.83 SIGMAR1 (0.53) SIGMAR1MEN1KMT2A
SCHEMBL7351505 0.83 SIGMAR1 (0.53) SIGMAR1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7320973-B2 Dihydrodiaryloxazepine derivative and pharmaceutical composition containing the same AJINOMOTO CO., INC. (JP) 2008-01-22 US disclosed
US-7320973-B2 Dihydrodiaryloxazepine derivative and pharmaceutical composition containing the same AJINOMOTO CO., INC. (JP) 2008-01-22 US disclosed
US-20040110742-A1 Dihydrodiaryloxazepine derivative and pharmaceutical composition containing the same AJINOMOTO CO., INC. (JP) 2004-06-10 US disclosed
EP-1403258-A1 DIHYDRODIARYLOXAZEPINE DERIVATIVE AND MEDICINAL COMPOSITION CONTAINING THE DERIVATIVE Ajinomoto Co., Inc. (JP) 2004-03-31 EP disclosed
CN-1085209-C 5, 11-dihydrodibenzo [ b, e ] [1,4] oxazepine * derivative and pharmaceutical composition containing the same AJINOMOTO KK (JP) 2002-05-22 CN disclosed
EP-0889043-B1 5,11-DIHYDRODIBENZ b,e] 1,4]OXAZEPINE DERIVATIVES AND DRUG COMPOSITIONS CONTAING THE DERIVATIVES AJINOMOTO KK (JP) 2001-08-29 EP disclosed
US-6127361-A FOR TREATMENT OR PREVENTION OF GASTROINTESTINAL MOVING FUNCTION DISORDERS, IRRITABLE BOWEL SYNDROME AJINOMO CO., INC. (JP) 2000-10-03 US disclosed
CN-1213371-A 5,11-dihydrodibenz [b,e] [1,4] oxazepine derivatives and drug compositions containing the devivatives AJINOMOTO KK (JP) 1999-04-07 CN disclosed
EP-0889043-A1 5,11-DIHYDRODIBENZ b,e] 1,4]OXAZEPINE DERIVATIVES AND DRUG COMPOSITIONS CONTAING THE DERIVATIVES Ajinomoto Co., Inc. (JP) 1999-01-07 EP disclosed
EP-0404359-B1 Dibenzothiazepine derivatives useful as antispasmodic agents PFIZER LTD (GB) 1994-06-29 EP disclosed
US-5071844-A Antispasmodic agents PFIZER INC. (US) 1991-12-10 US disclosed
WO-1991010648-A1 DIPHENYLSULPHOXIMINE MUSCARINIC RECEPTOR ANTAGONISTS PFIZER LIMITED (GB) 1991-07-25 WO disclosed
EP-0404359-A1 Dibenzothiazepine derivatives useful as antispasmodic agents Pfizer Limited (GB) 1990-12-27 EP disclosed
CN-1047673-A Anticonvulsants PFIZER (US) 1990-12-12 CN 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-20040110742-A1 Dihydrodiaryloxazepine derivative and pharmaceutical composition containing the same CYP3A4, PPARD, CYP4B1 HRH3 518/4885SIGMAR1 998/4885NPC1 402/4885

“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.