SCHEMBL5256142

SCHEMBL5256142

CCCCCNCCCCCNC=O

nearest known ligand 0.90

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADH1B P00325 4/20 0.90
ADH1A P07327 4/20 0.90
ADH7 P40394 4/20 0.90
EPHX1 P07099 4/20 0.90
ADH1C P00326 3/20 0.90
ADH4 P08319 2/20 0.90
TSHR P16473 2/20 0.65
ALDH1A1 P00352 1/20 0.65
S1PR2 O95136 5/20 0.52
S1PR4 O95977 5/20 0.52
S1PR1 P21453 5/20 0.52
S1PR3 Q99500 5/20 0.52
S1PR5 Q9H228 1/20 0.52
FAAH O00519 2/20 0.44
TRPV1 Q8NER1 1/20 0.44
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43

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
SCHEMBL7021636 1.00 ADH1B (0.90) ADH1BADH1AADH7EPHX1ADH1C
SCHEMBL11397515 0.95 ADH1B (0.81) ADH1BADH1AADH7EPHX1ADH1C
SCHEMBL9661848 0.95 EPHX1 (1.00) ADH1BADH1AADH7EPHX1ADH1C
SCHEMBL9661679 0.95 EPHX1 (1.00) ADH1BADH1AADH7EPHX1ADH1C
SCHEMBL145544 0.95 EPHX1 (1.00) ADH1BADH1AADH7EPHX1ADH1C
SCHEMBL58363 0.95
SCHEMBL305123 0.95 EPHX1 (1.00) ADH1BADH1AADH7EPHX1ADH1C
SCHEMBL302735 0.95 EPHX1 (1.00) ADH1BADH1AADH7EPHX1ADH1C
SCHEMBL9658779 0.95 EPHX1 (1.00) ADH1BADH1AADH7EPHX1ADH1C
SCHEMBL4879688 0.95 EPHX1 (1.00) ADH1BADH1AADH7EPHX1ADH1C

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-1221440-B1 Benzoheterocyclic derivatives useful as vasopressin or oxytocin modulators OTSUKA PHARMA CO LTD (JP) 2007-04-25 EP disclosed
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 ADH1B 2882/4885ADH1A 318/4885ADH7 2087/4885

“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.