SCHEMBL4814660

SCHEMBL4814660

N#CCc1ccc2c(c1)CCC2=O

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 1/20 0.49
CASP7 P55210 1/20 0.49
HSD17B10 Q99714 1/20 0.49
GRM5 P41594 1/20 0.45
MAOB P27338 6/20 0.44
MAOA P21397 5/20 0.44
HSD17B1 P14061 3/20 0.44
PGR P06401 1/20 0.43
ACACB O00763 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39
PRKCI P41743 1/20 0.39
HRH3 Q9Y5N1 2/20 0.38
AKR1B1 P15121 1/20 0.38

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
SCHEMBL4815514 0.86 PBRM1 (0.49) CASP1CASP7HSD17B10GRM5MAOB
SCHEMBL14711693 0.81 SRD5A1 (0.45)
SCHEMBL28144985 0.77 CASP1 (0.53) CASP1CASP7HSD17B10GRM5MAOB
SCHEMBL4805957 0.77 CASP1 (0.53) CASP1CASP7HSD17B10GRM5MAOB
SCHEMBL91586 0.77 HSD17B1 (0.55) CASP1CASP7HSD17B10GRM5MAOB
SCHEMBL4814687 0.77 CASP1 (0.53) CASP1CASP7HSD17B10GRM5MAOB
SCHEMBL7640635 0.75 MAOA (0.53) GRM5MAOBMAOAHSD17B1PRKCI
SCHEMBL4817434 0.74 CASP1 (0.50) CASP1CASP7HSD17B10GRM5MAOB
Methyl Alcohol SCHEMBL27943559 0.74 HSD17B1 (0.56) CASP1CASP7HSD17B10GRM5MAOB
SCHEMBL31135375 0.73 KCNJ1 (0.56) MAOBMAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1740579-B1 TRICYCLIC PYRAZOLE KINASE INHIBITORS ABBVIE INC (US) 2015-08-19 EP disclosed
US-7468371-B2 Tricyclic pyrazole kinase inhibitors ABBOTT LABORATORIES INC. (US) 2008-12-23 US disclosed
EP-1740579-A1 TRICYCLIC PYRAZOLE KINASE INHIBITORS Abbott Laboratories (US) 2007-01-10 EP disclosed
US-20060014816-A1 Tricyclic pyrazole kinase inhibitors ABBVIE INC. 2006-01-19 US disclosed
WO-2005095387-A1 TRICYCLIC PYRAZOLE KINASE INHIBITORS ABBOTT LABORATORIES (US) 2005-10-13 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-20060014816-A1 Tricyclic pyrazole kinase inhibitors PRKDC, PRKACA, PIK3C3 CASP1 2298/4885CASP7 1716/4885HSD17B10 3557/4885

“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.