SCHEMBL4910756

SCHEMBL4910756

Cc1ccc2c(c1)NC(C)CCN2

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
HSD17B10 Q99714 1/20 0.42
BRD4 O60885 1/20 0.33
CREBBP Q92793 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
SLC6A3 Q01959 1/20 0.32
NISCH Q9Y2I1 4/20 0.32
HTR2C P28335 2/20 0.32
PTPN7 P35236 1/20 0.31
PARP10 Q53GL7 2/20 0.31
PARP11 Q9NR21 1/20 0.31
EPHX2 P34913 1/20 0.31
PARP1 P09874 1/20 0.31
KIF11 P52732 1/20 0.31

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
SCHEMBL29070741 0.81 CYP1A2 (0.38) GAAALDH1A1MAPTHSD17B10BRD4
SCHEMBL30570966 0.81 CYP1A2 (0.38) GAAALDH1A1MAPTHSD17B10BRD4
SCHEMBL30073366 0.81 PNMT (0.40) BRD4HTR2CPARP10PARP11PARP1
SCHEMBL4911575 0.77 BRD4 (0.47) GAAALDH1A1MAPTBRD4CREBBP
SCHEMBL4910769 0.77 BRD4 (0.47) GAAALDH1A1MAPTBRD4CREBBP
SCHEMBL4906005 0.77 BRD4 (0.47) GAAALDH1A1MAPTBRD4CREBBP
SCHEMBL129154 0.76 MAPT (0.53) GAAALDH1A1MAPTHSD17B10NISCH
SCHEMBL24359176 0.74 HTR5A (0.39) GAAALDH1A1MAPTHSD17B10BRD4
SCHEMBL30570974 0.74 CYP1A2 (0.38) GAAALDH1A1MAPTHSD17B10BRD4
SCHEMBL29070709 0.74 CYP1A2 (0.38) GAAALDH1A1MAPTHSD17B10BRD4

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 GAA 2281/4885ALDH1A1 492/4885MAPT 3584/4885

“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.