SCHEMBL19737641

SCHEMBL19737641

CC(C)(C)Cc1cnc2c(c1)OCCN2

nearest known ligand 0.56

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 2/20 0.56
FEN1 P39748 16/20 0.39
ALOX5AP P20292 16/20 0.39
IMPDH2 P12268 1/20 0.35

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
SCHEMBL12020144 0.83 GRM5 (0.60) GRM5FEN1ALOX5AP
SCHEMBL22652321 0.81 GRM5 (0.58) GRM5FEN1ALOX5AP
SCHEMBL11955018 0.78 NNMT (0.48) GRM5FEN1ALOX5AP
SCHEMBL25636518 0.77 NNMT (0.45) GRM5FEN1ALOX5AP
SCHEMBL12019744 0.77 GRM5 (0.50) GRM5FEN1ALOX5APIMPDH2
SCHEMBL19286094 0.75 GRM5 (0.46) GRM5FEN1ALOX5APIMPDH2
SCHEMBL24654855 0.75 BACE1 (0.36) GRM5
SCHEMBL14349440 0.75 GRM5 (0.48) GRM5FEN1ALOX5APIMPDH2
SCHEMBL12462535 0.74 GRM5 (0.54) GRM5FEN1ALOX5APIMPDH2
SCHEMBL91447 0.74 GRM5 (0.54) GRM5FEN1ALOX5APIMPDH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170362180-A1 QUINOLONE COMPOUND OTSUKA PHARMA CO LTD (JP) 2017-12-21 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-20170362180-A1 QUINOLONE COMPOUND HAX1, NQO2, NHERF1 GRM5 4193/4885FEN1 2761/4885ALOX5AP 2036/4885

“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.