SCHEMBL7017018

SCHEMBL7017018

COc1cc(C(=O)N2CCCCc3cc(Cl)ccc32)ccc1NC(=O)N(C)C

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 6/20 0.54
HDAC1 Q13547 1/20 0.52
HDAC6 Q9UBN7 1/20 0.52
PDE4A P27815 1/20 0.49
PDE4B Q07343 1/20 0.49
PDE4C Q08493 1/20 0.49
PDE4D Q08499 1/20 0.49
MAPT P10636 3/20 0.48
TP53 P04637 4/20 0.47
NR3C1 P04150 2/20 0.47
AVPR1A P37288 2/20 0.46
AVPR1B P47901 1/20 0.46
IDO1 P14902 1/20 0.46
KCNH2 Q12809 1/20 0.46

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
SCHEMBL7245141 0.82 AVPR2 (0.62) AVPR2HDAC1HDAC6PDE4APDE4B
SCHEMBL7027005 0.82 AVPR2 (0.59) AVPR2HDAC1HDAC6PDE4APDE4B
SCHEMBL7022992 0.81 AVPR2 (0.61) AVPR2HDAC1HDAC6PDE4APDE4B
SCHEMBL7354914 0.81 AVPR2 (0.53) AVPR2PDE4APDE4BPDE4CPDE4D
SCHEMBL7024124 0.81 AVPR2 (0.60) AVPR2HDAC1HDAC6PDE4APDE4B
SCHEMBL7246261 0.80 AVPR2 (0.59) AVPR2HDAC1HDAC6PDE4APDE4B
SCHEMBL7359772 0.80 AVPR2 (0.56) AVPR2AVPR1AAVPR1B
SCHEMBL7357285 0.77 AVPR1A (0.50) AVPR2PDE4APDE4BPDE4CPDE4D
SCHEMBL4685018 0.77 AVPR1A (0.48) AVPR2MAPTTP53AVPR1AAVPR1B
SCHEMBL7383926 0.76 AVPR1A (0.49) AVPR2MAPTTP53AVPR1AAVPR1B

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
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

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 1/4885HDAC1 545/4885HDAC6 824/4885

“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.