SCHEMBL5256157

SCHEMBL5256157

CCCCCCN(C)CCN[C]=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR2 O95136 1/20 0.46
S1PR1 P21453 1/20 0.46
S1PR3 Q99500 1/20 0.46
S1PR5 Q9H228 1/20 0.46
KDM4C Q9H3R0 6/20 0.42
KDM5A P29375 5/20 0.42
PHF8 Q9UPP1 2/20 0.42
DNM1 Q05193 3/20 0.41
KDM5C P41229 1/20 0.40
KDM5B Q9UGL1 1/20 0.40
GGPS1 O95749 4/20 0.40
KDM4A O75164 2/20 0.39
FDPS P14324 1/20 0.39
AGTR1 P30556 1/20 0.39
OPRM1 P35372 1/20 0.39
PDE3A Q14432 1/20 0.39
EPHX1 P07099 1/20 0.38
ADH1B P00325 1/20 0.38
ADH1C P00326 1/20 0.38
ADH1A P07327 1/20 0.38

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
SCHEMBL18034255 0.79 DNM1 (0.48) S1PR2S1PR1S1PR3S1PR5KDM4C
SCHEMBL18034254 0.79 DNM1 (0.48) S1PR2S1PR1S1PR3S1PR5KDM4C
SCHEMBL18073416 0.79 DNM1 (0.48) S1PR2S1PR1S1PR3S1PR5KDM4C
SCHEMBL7220771 0.77
SCHEMBL58362 0.77
SCHEMBL10874788 0.77 EPHX1 (0.48) S1PR2S1PR1S1PR3EPHX1ADH1B
SCHEMBL305122 0.77 EPHX1 (0.48) S1PR2S1PR1S1PR3EPHX1ADH1B
SCHEMBL146003 0.77 EPHX1 (0.48) S1PR2S1PR1S1PR3EPHX1ADH1B
SCHEMBL76962 0.77 EPHX1 (0.48) S1PR2S1PR1S1PR3EPHX1ADH1B
SCHEMBL149027 0.77 EPHX1 (0.48) S1PR2S1PR1S1PR3EPHX1ADH1B

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 S1PR2 3704/4885S1PR1 3866/4885S1PR3 3891/4885

“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.