SCHEMBL7016007

SCHEMBL7016007

CC(COC=O)CN1CCCCC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.41
HRH3 Q9Y5N1 3/20 0.39
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
ATM Q13315 1/20 0.38
CYP2D6 P10635 3/20 0.37
CYP2C19 P33261 1/20 0.37
POLB P06746 3/20 0.36
KDM4E B2RXH2 1/20 0.36
ABCB1 P08183 3/20 0.36
TSHR P16473 1/20 0.35
HIF1A Q16665 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
ANPEP P15144 1/20 0.34
ERAP2 Q6P179 1/20 0.34
ALDH1A1 P00352 2/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
CHRM2 P08172 1/20 0.34
ADRA2B P18089 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
SCHEMBL5540119 0.82 SMN1; SMN2 (0.45) POLBKDM4EALDH1A1SIGMAR1
SCHEMBL9407486 0.75 KMT2A (0.55) HSD17B10HRH3KMT2AMEN1ATM
SCHEMBL7016005 0.74 HRH3 (0.39) HRH3KMT2AMEN1ATMCYP2D6
SCHEMBL24428862 0.74 KDM4E (0.41) HRH3KMT2AMEN1ATMCYP2D6
SCHEMBL20028806 0.74 KDM4E (0.41) HRH3KMT2AMEN1ATMCYP2D6
SCHEMBL13178012 0.73 HSD17B10 (0.43) HSD17B10KMT2AMEN1POLBTSHR
SCHEMBL21743266 0.72 SMN1; SMN2 (0.44) HRH3KMT2AMEN1ATMCYP2D6
SCHEMBL21941855 0.72 SMN1; SMN2 (0.44) HRH3KMT2AMEN1ATMCYP2D6
SCHEMBL21518266 0.72 CA1 (0.36)
SCHEMBL9208432 0.71 MEN1 (0.46) HSD17B10HRH3KMT2AMEN1ATM

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 HSD17B10 1862/4885HRH3 606/4885KMT2A 4490/4885

“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.