SCHEMBL3966947

SCHEMBL3966947

CN(Cc1ccccc1)c1ccc2c(c1)CCC2=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.47
RXRB P28702 1/20 0.47
RXRG P48443 1/20 0.47
GRM5 P41594 2/20 0.46
IP6K1 Q92551 1/20 0.45
SLC16A3 O15427 1/20 0.43
SLC16A1 P53985 1/20 0.43
MAOB P27338 4/20 0.43
MAOA P21397 3/20 0.43
NR1H2 P55055 1/20 0.43
NR1H3 Q13133 1/20 0.43
BCHE P06276 2/20 0.42
ACHE P22303 2/20 0.42
CASP1 P29466 1/20 0.41
CASP7 P55210 1/20 0.41
HSD17B10 Q99714 1/20 0.41
HSD17B1 P14061 2/20 0.39
KDM6B O15054 1/20 0.39
KDM4C Q9H3R0 1/20 0.39
CRHBP P24387 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
SCHEMBL4741050 0.89 RXRA (0.47) RXRARXRBRXRGIP6K1SLC16A3
SCHEMBL4819504 0.79 CYP1A2 (0.40) GRM5CASP1CASP7HSD17B10HSD17B1
SCHEMBL13482100 0.77 MAOA (0.52) GRM5MAOBMAOA
SCHEMBL6776955 0.76 CASP1 (0.53) GRM5MAOBMAOACASP1CASP7
SCHEMBL13418906 0.73 GRM5 (0.42) GRM5MAOBMAOACASP1CASP7
SCHEMBL4813891 0.72 CASP1 (0.49) GRM5MAOBMAOACASP1CASP7
SCHEMBL4811389 0.72 ALDH1A1 (0.50) GRM5MAOBCASP1CASP7HSD17B10
SCHEMBL11881187 0.72 NR1H2 (0.62) IP6K1MAOBMAOANR1H2NR1H3
SCHEMBL20370918 0.71 NR1H2 (0.44) RXRARXRBRXRGIP6K1SLC16A3
SCHEMBL17361577 0.71 GRM5 (0.52) GRM5MAOBMAOAHSD17B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2006271-A9 SUBSTITUTED BICYCLIC CYCLIC DERIVATIVE AND USE THEREOF Asahi Kasei Pharma Corporation (JP) 2009-07-29 EP disclosed
US-20090054401-A1 Substituted bicyclic derivatives and use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2009-02-26 US disclosed
EP-2006271-A2 SUBSTITUTED BICYCLIC CYCLIC DERIVATIVE AND USE THEREOF Asahi Kasei Pharma Corporation (JP) 2008-12-24 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-20090054401-A1 Substituted bicyclic derivatives and use thereof LTB4R2, LTC4S, LTB4R RXRA 123/4885RXRB 156/4885RXRG 144/4885

“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.