SCHEMBL4907952

SCHEMBL4907952

CC(C)C1CCNc2ccccc2N1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.34
BRD4 O60885 5/20 0.33
CREBBP Q92793 4/20 0.33
PRCP P42785 1/20 0.33
EP300 Q09472 1/20 0.33
MEN1 O00255 3/20 0.32
GAA P10253 3/20 0.32
KMT2A Q03164 3/20 0.32
MAPT P10636 2/20 0.32
BRPF1 P55201 1/20 0.32
ALDH1A1 P00352 1/20 0.32
KDM4E B2RXH2 1/20 0.32
NPC1 O15118 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
KDM1A O60341 1/20 0.31
ALOX15 P16050 1/20 0.31
CASP1 P29466 1/20 0.31
CASP7 P55210 1/20 0.31
GFER P55789 1/20 0.31
AR P10275 1/20 0.30

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
Fluoride SCHEMBL9530759 0.81 ALOX5 (0.36) ALOX5BRD4CREBBPPRCPEP300
SCHEMBL28517927 0.81 ALOX5 (0.36) ALOX5BRD4CREBBPPRCPEP300
SCHEMBL4910769 0.75 BRD4 (0.47) BRD4CREBBPEP300MEN1GAA
SCHEMBL4911575 0.75 BRD4 (0.47) BRD4CREBBPEP300MEN1GAA
SCHEMBL4906005 0.75 BRD4 (0.47) BRD4CREBBPEP300MEN1GAA
SCHEMBL2614345 0.74 MTNR1A (0.42) ALOX5PRCPGAAMAPTNPC1
SCHEMBL12610495 0.74 MTNR1A (0.42) ALOX5PRCPGAAMAPTNPC1
SCHEMBL4915228 0.70 CREBBP (0.51) ALOX5BRD4CREBBPEP300MEN1
SCHEMBL24090522 0.70 AR (0.40) PRCPAR
SCHEMBL18886131 0.70 AR (0.40) PRCPAR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080076760-A1 2,3,4,5-TETRAHYDRO-1H-1,5-BENZODIAZEPINE DERIVATIVE AND MEDICINAL COMPOSITION WAKAMOTO PHARMACEUTICAL CO., LTD (JP) 2008-03-27 US disclosed
EP-1820799-A1 2,3,4,5-TETRAHYDRO-1H-1,5-BENZODIAZEPINE DERIVATIVE AND MEDICINAL COMPOSITION Wakamoto Pharmaceutical Co., Ltd. (JP) 2007-08-22 EP 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-20080076760-A1 2,3,4,5-TETRAHYDRO-1H-1,5-BENZODIAZEPINE DERIVATIVE AND MEDICINAL COMPOSITION GABRA5, GABRA1, GABRB1 ALOX5 767/4885BRD4 295/4885CREBBP 577/4885

“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.