SCHEMBL5250700

SCHEMBL5250700

COC(=O)N1CCC(CCOC=O)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 2/20 0.42
FAAH O00519 1/20 0.38
ALDH1A1 P00352 1/20 0.38
TEAD1 P28347 1/20 0.37
TEAD3 Q99594 1/20 0.37
EPHX1 P07099 1/20 0.36
CHRM4 P08173 1/20 0.36
AKR1C3 P42330 1/20 0.36
KDM4E B2RXH2 1/20 0.35
PKM P14618 1/20 0.35
GPR119 Q8TDV5 3/20 0.35
CYP4F2 P78329 1/20 0.35
CYP4A11 Q02928 1/20 0.35
THRB P10828 1/20 0.35
ATM Q13315 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
BRDT Q58F21 1/20 0.35
SCN9A Q15858 1/20 0.34
GAA P10253 1/20 0.34
CYP2D6 P10635 1/20 0.34

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
SCHEMBL27573804 0.85 GPR119 (0.49) FAAHEPHX1KDM4EPKMGPR119
SCHEMBL29201749 0.81 BRD4 (0.44) BRD4FAAHALDH1A1EPHX1KDM4E
SCHEMBL13451380 0.78 BRD4 (0.47) BRD4FAAHALDH1A1EPHX1AKR1C3
SCHEMBL13498638 0.78 BRD4 (0.47) BRD4FAAHALDH1A1EPHX1KDM4E
SCHEMBL5250692 0.78 BRD4 (0.42) BRD4FAAHALDH1A1TEAD1TEAD3
SCHEMBL5252440 0.76 NCF1 (0.42) ALDH1A1TEAD1TEAD3
SCHEMBL13597243 0.76 POLB (0.48) BRD4ALDH1A1CHRM4PKMGPR119
SCHEMBL3310103 0.76 BRD4 (0.48) BRD4FAAHALDH1A1EPHX1KDM4E
SCHEMBL25613273 0.75 BRD4 (0.47) BRD4ALDH1A1EPHX1KDM4EPKM
SCHEMBL13451670 0.75 BRD4 (0.50) BRD4EPHX1KDM4EPKMCYP4F2

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
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
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 BRD4 411/4885FAAH 111/4885ALDH1A1 3145/4885

“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.