SCHEMBL4151697

SCHEMBL4151697

Cc1ccc2c(c1)C(=O)c1ccc(N)cc1CC2

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 2/20 0.54
CASP7 P55210 2/20 0.54
HSD17B10 Q99714 2/20 0.54
MAPK14 Q16539 4/20 0.48
MAOB P27338 2/20 0.48
METAP1 P53582 2/20 0.46
PARP10 Q53GL7 2/20 0.45
PARP1 P09874 1/20 0.45
TYMS P04818 1/20 0.45
ELANE P08246 1/20 0.44
MAOA P21397 1/20 0.42
TDP1 Q9NUW8 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
PARP11 Q9NR21 1/20 0.41
NPC1 O15118 2/20 0.41
ALDH1A1 P00352 2/20 0.41
TSHR P16473 2/20 0.41
RAB9A P51151 2/20 0.41
TP53 P04637 1/20 0.41
CYP3A4 P08684 1/20 0.41

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
SCHEMBL17899377 0.89 METAP1 (0.56) CASP1CASP7HSD17B10MAOBMETAP1
SCHEMBL14925847 0.84 METAP1 (0.60) MAOBMETAP1PARP10PARP1TYMS
SCHEMBL4135391 0.81 METAP1 (0.50) MAPK14MAOBMETAP1PARP10PARP1
SCHEMBL16559372 0.80 CASP1 (0.55) CASP1CASP7HSD17B10MAPK14MAOB
SCHEMBL7435588 0.80 METAP1 (0.60) MAPK14MAOBMETAP1PARP10PARP1
SCHEMBL2317653 0.80 MAPK14 (0.61) CASP1CASP7HSD17B10MAPK14MAOB
SCHEMBL13877021 0.80 MAPK14 (0.69) CASP1CASP7HSD17B10MAPK14MAOB
SCHEMBL8797457 0.80 TDP1 (0.64) MAPK14MAOBMETAP1PARP10PARP1
SCHEMBL11685442 0.77 SRD5A2 (0.56) MAPK14METAP1PARP10PARP1ALDH1A1
SCHEMBL20763966 0.77 NPC1 (0.67) CASP1CASP7HSD17B10MAOBELANE

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-8633312-B2 Dibenzocycloheptatone derivatives and pharmaceutical agents containing said compounds C-A-I-R BIOSCIENCES GMBH (DE) 2014-01-21 US disclosed
US-20120115862-A1 DIBENZOCYCLOHEPTATONE DERIVATIVES AND PHARMACEUTICAL AGENTS CONTAINING SAID COMPOUNDS C-A-I-R BIOSCIENCES GMBH (DE) 2012-05-10 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-20120115862-A1 DIBENZOCYCLOHEPTATONE DERIVATIVES AND PHARMACEUTICAL AGENTS CONTAINING SAID COMPOUNDS IL1B, NFKBIA, IL1R1 CASP1 149/4885CASP7 718/4885HSD17B10 560/4885

“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.