SCHEMBL7016005

SCHEMBL7016005

CC(CO[C]=O)CN1CCCCC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
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
DRD3 P35462 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
SCHEMBL5540116 0.82 SMN1; SMN2 (0.45) POLBKDM4EALDH1A1SIGMAR1
SCHEMBL9407486 0.75 KMT2A (0.55) HRH3KMT2AMEN1ATMCYP2D6
SCHEMBL7016007 0.74 HSD17B10 (0.41) HRH3KMT2AMEN1ATMCYP2D6
SCHEMBL20028806 0.74 KDM4E (0.41) HRH3KMT2AMEN1ATMCYP2D6
SCHEMBL24428862 0.74 KDM4E (0.41) HRH3KMT2AMEN1ATMCYP2D6
SCHEMBL21743266 0.72 SMN1; SMN2 (0.44) HRH3KMT2AMEN1ATMCYP2D6
SCHEMBL21941855 0.72 SMN1; SMN2 (0.44) HRH3KMT2AMEN1ATMCYP2D6
SCHEMBL9208432 0.71 MEN1 (0.46) HRH3KMT2AMEN1ATMCYP2D6
SCHEMBL5902458 0.71 POLB (0.40) KMT2AMEN1POLBTSHRL3MBTL1
SCHEMBL24428715 0.71 KMT2A (0.37) HRH3KMT2AMEN1ATMCYP2D6

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 HRH3 606/4885KMT2A 4490/4885MEN1 1227/4885

“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.