SCHEMBL5256334

SCHEMBL5256334

CC(C)NCCCNC=O

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ADH1B P00325 5/20 0.52
ADH1A P07327 5/20 0.52
ADH1C P00326 4/20 0.52
ADH7 P40394 3/20 0.52
EPHX1 P07099 1/20 0.50
ADH4 P08319 1/20 0.50
HRH4 Q9H3N8 2/20 0.34
HRH3 Q9Y5N1 2/20 0.34
KDM4E B2RXH2 3/20 0.31
ALDH1A1 P00352 2/20 0.31
ADRB2 P07550 1/20 0.30

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
SCHEMBL3030601 0.85
SCHEMBL7672129 0.81 TSHR (0.42) ADH1BADH1AADH1CADH7EPHX1
SCHEMBL1961336 0.80 ADH1B (0.52) ADH1BADH1AADH1CADH7EPHX1
SCHEMBL11044686 0.79 CYP2C19 (0.48) HRH4HRH3ALDH1A1ADRB2
SCHEMBL12319688 0.79 CYP2C19 (0.48) HRH4HRH3ALDH1A1ADRB2
SCHEMBL32670245 0.79 TSHR (0.46) ADH1BADH1AADH1CADH7EPHX1
SCHEMBL8763225 0.79
SCHEMBL479263 0.79 HRH4 (0.39) HRH4HRH3KDM4EALDH1A1ADRB2
SCHEMBL2600364 0.79 HRH4 (0.43) HRH4HRH3KDM4EALDH1A1ADRB2
SCHEMBL6370656 0.78

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 318/4885ADH1C 168/4885

“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.