SCHEMBL7017339

SCHEMBL7017339

COc1cc(NCc2ccccc2C)ccc1C(=O)N1CCCC(CC(=O)N2CCN(C)CC2)c2cc(Cl)ccc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 15/20 0.46
AVPR1A P37288 3/20 0.45
HTR1A P08908 3/20 0.45
ABCB11 O95342 1/20 0.45
ADRB2 P07550 1/20 0.45
ADORA3 P0DMS8 1/20 0.45
CHRM1 P11229 1/20 0.45
TBXA2R P21731 1/20 0.45
HTR2C P28335 1/20 0.45
HRH1 P35367 1/20 0.45
OPRM1 P35372 1/20 0.45
GLP1R P43220 1/20 0.45
TMEM97 Q5BJF2 1/20 0.45
FFAR4 Q5NUL3 1/20 0.45
GPR119 Q8TDV5 1/20 0.45
HTR1D P28221 2/20 0.41
HTR1B P28222 2/20 0.41
GAA P10253 2/20 0.38
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36

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
SCHEMBL5312321 0.91 AVPR2 (0.41) AVPR2AVPR1AHTR1AABCB11ADRB2
SCHEMBL7017556 0.89 AVPR2 (0.46) AVPR2AVPR1AHTR1AABCB11ADRB2
SCHEMBL4687374 0.88 AVPR2 (0.60) AVPR2AVPR1AHTR1AABCB11ADRB2
SCHEMBL5253138 0.85 AVPR2 (0.44) AVPR2AVPR1AHTR1AABCB11ADRB2
SCHEMBL4698258 0.85 AVPR2 (0.52) AVPR2AVPR1AHTR1AABCB11ADRB2
Hydrochloric Acid SCHEMBL7341607 0.84 AVPR2 (0.51) AVPR2AVPR1AHTR1AABCB11ADRB2
SCHEMBL7246942 0.83 AVPR2 (0.43) AVPR2AVPR1AHTR1AABCB11ADRB2
SCHEMBL4682372 0.83 AVPR2 (0.50) AVPR2AVPR1AHTR1AABCB11ADRB2
Hydrochloric Acid SCHEMBL4682264 0.80 AVPR2 (0.58) AVPR2AVPR1AHTR1AABCB11ADRB2
SCHEMBL4681027 0.80 AVPR2 (0.71) AVPR2AVPR1AHTR1AABCB11ADRB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6642223-B2 A benzoazepin or benzodiazepin derivatives, shows excellent anti-vasopressin activity, vasopressin agonistic activity and oxytocin antagonistic activity, and are useful as antagonist OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2003-11-04 US disclosed
EP-0765314-B1 BENZOHETEROCYCLIC DERIVATIVES USEFUL AS VASOPRESSIN OR OXYTOCIN MODULATORS OTSUKA PHARMA CO LTD (JP) 2003-05-07 EP disclosed
EP-1221440-A1 Benzoheterocyclic derivatives useful as vasopressin or oxytocin modulators Otsuka Pharmaceutical Company, Limited (JP) 2002-07-10 EP disclosed
US-20020049194-A1 Benzoheterocyclic derivatives OGAWA HIDENORI (JP) 2002-04-25 US disclosed
US-6335327-B1 Benzoheterocyclic derivatives OTSUKA PHARMACEUTICALS CO., LTD. (JP) 2002-01-01 US disclosed
US-6096735-A Benzoheterocyclic derivatives OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 2000-08-01 US disclosed
EP-0765314-A1 BENZOHETEROCYCLIC DERIVATIVES USEFUL AS VASOPRESSIN OR OXYTOCIN MODULATORS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1997-04-02 EP disclosed
WO-1995034540-A1 BENZOHETEROCYCLIC DERIVATIVES USEFUL AS VASOPRESSIN OR OXYTOCIN MODULATORS OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1995-12-21 WO disclosed
EP-0514667-B1 Benzazepin derivatives as vasopressin antagonists OTSUKA PHARMA CO LTD (JP) 1995-08-09 EP disclosed
US-5244898-A Vasopressin antagonist OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1993-09-14 US disclosed
EP-0514667-A1 Benzazepin derivatives as vasopressin antagonists OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1992-11-25 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-20020049194-A1 Benzoheterocyclic derivatives AVPR2, AVPR1A, AVPR1B AVPR2 1/4885AVPR1A 2/4885HTR1A 346/4885

“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.