SCHEMBL3722121

SCHEMBL3722121

CC(N)c1ccc2c(c1)CCN(Cc1ccc(OCC3CC3)cc1)C2=O

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.48
ITGA2B P08514 1/20 0.48
ACACB O00763 15/20 0.45
GRM2 Q14416 3/20 0.44
GRM5 P41594 1/20 0.43

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
SCHEMBL3729890 0.85 ACACB (0.62) ACACB
SCHEMBL3725254 0.85 ITGB3 (0.54) ITGB3ITGA2BGRM2GRM5
SCHEMBL3722125 0.83 ITGB3 (0.50) ITGB3ITGA2BGRM2GRM5
SCHEMBL3723214 0.83 ITGB3 (0.54) ITGB3ITGA2BGRM2GRM5
SCHEMBL3725624 0.81 ITGB3 (0.53) ITGB3ITGA2BACACBGRM2GRM5
SCHEMBL22397425 0.81 GRM5 (0.60) ITGB3ITGA2BGRM5
SCHEMBL3730360 0.79 ACACB (0.66) ACACB
SCHEMBL3735903 0.78 ITGB3 (0.52) ITGB3ITGA2BGRM2GRM5
SCHEMBL17585131 0.73 ACACB (0.72) ACACB
SCHEMBL17246825 0.71 PARP15 (0.51) ACACB

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
WO-2010127212-A1 INHIBITORS OF ACETYL-COA CARBOXYLASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2010-11-04 WO disclosed
US-20100280067-A1 INHIBITORS OF ACETYL-COA CARBOXYLASE SARMA PAKALA KUMARA SAVITHRU 2010-11-04 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-20100280067-A1 INHIBITORS OF ACETYL-COA CARBOXYLASE ACACA, ACACB, PC ITGB3 4238/4885ITGA2B 4459/4885ACACB 2/4885

“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.