SCHEMBL17158331

SCHEMBL17158331

COC(=O)C1=Cc2ccccc2NC[C@H]1C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 10/20 0.39
HPGD P15428 8/20 0.39
ALDH1A1 P00352 8/20 0.39
GLA P06280 7/20 0.39
GAA P10253 7/20 0.39
HSD17B10 Q99714 7/20 0.39
CASP1 P29466 6/20 0.39
CASP7 P55210 6/20 0.39
EPHX2 P34913 1/20 0.39
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
RCE1 Q9Y256 1/20 0.37
ATM Q13315 3/20 0.35
CA12 O43570 1/20 0.35
CA9 Q16790 1/20 0.35
TSHR P16473 2/20 0.35
POLB P06746 2/20 0.35
MTNR1A P48039 1/20 0.35
MTNR1B P49286 1/20 0.35
SLC6A3 Q01959 1/20 0.33

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
SCHEMBL17158332 1.00 KDM4E (0.39) KDM4EHPGDALDH1A1GLAGAA
SCHEMBL26128039 0.73 CA12 (0.48) KDM4EALDH1A1HSD17B10ATMCA12
SCHEMBL7714514 0.72 MEN1 (0.38) KDM4EHPGDALDH1A1GLAGAA
SCHEMBL17158191 0.72 CA12 (0.47) KDM4EATMCA12CA9TSHR
SCHEMBL16684902 0.71 ALOX5 (0.43) KDM4EHPGDALDH1A1HSD17B10ATM
SCHEMBL21585542 0.66 ALDH1A1 (0.47) KDM4EHPGDALDH1A1GLAGAA
SCHEMBL22541045 0.66 TSHR (0.42) KDM4EHPGDALDH1A1GAAHSD17B10
SCHEMBL8306654 0.65 RAB9A (0.38) KDM4EHPGDALDH1A1HSD17B10MEN1
SCHEMBL3570507 0.65 CHRNB2 (0.47) KDM4EHPGDALDH1A1GLAGAA
SCHEMBL31422915 0.63 PARP10 (0.33) KDM4EGAAMEN1KMT2ATP53

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2940008-B1 NOVEL BENZAZEPINE DERIVATIVE AND PHARMACEUTICAL USE THEREOF SANWA KAGAKU KENKYUSHO CO (JP) 2017-05-17 EP disclosed
US-9586905-B2 Benzoazepine derivative and medical use thereof SANWA KAGAKU KENKYUSHO CO., LTD. (JP) 2017-03-07 US disclosed
EP-2940008-A1 NOVEL BENZAZEPINE DERIVATIVE AND PHARMACEUTICAL USE THEREOF Sanwa Kagaku Kenkyusho Co., Ltd (JP) 2015-11-04 EP disclosed
US-20150291533-A1 NOVEL BENZOAZEPINE DERIVATIVE AND MEDICAL USE THEREOF SANWA KAGAKU KENKYUSHO CO., LTD. (JP) 2015-10-15 US 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-20150291533-A1 NOVEL BENZOAZEPINE DERIVATIVE AND MEDICAL USE THEREOF AVPR2, AVPR1A, AVPR1B KDM4E 1386/4885HPGD 1550/4885ALDH1A1 1975/4885

“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.