SCHEMBL19012602

SCHEMBL19012602

CC(O)C(=O)N1C(C)CN(c2ccc(C(C)C)cn2)CC1C

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ACACB O00763 7/20 0.49
PANK3 Q9H999 6/20 0.42
HSD11B1 P28845 1/20 0.40
ENPP2 Q13822 1/20 0.37
SORD Q00796 5/20 0.37

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
SCHEMBL19012728 1.00 ACACB (0.49) ACACBPANK3HSD11B1ENPP2SORD
SCHEMBL19012474 0.89 ACACB (0.48) ACACBPANK3HSD11B1ENPP2
SCHEMBL19012704 0.89 ACACB (0.48) ACACBPANK3HSD11B1ENPP2
SCHEMBL19012599 0.86 HRH3 (0.43) ACACBPANK3HSD11B1SORD
SCHEMBL18436271 0.86 HRH3 (0.43) ACACBPANK3HSD11B1SORD
SCHEMBL19012473 0.84 ACACB (0.48) ACACBPANK3HSD11B1ENPP2
SCHEMBL20034196 0.84 ACACB (0.48) ACACBPANK3HSD11B1ENPP2
SCHEMBL20034306 0.84 ACACB (0.48) ACACBPANK3HSD11B1ENPP2
SCHEMBL19012539 0.84 ACACB (0.54) ACACBPANK3HSD11B1
SCHEMBL19012726 0.84 ACACB (0.48) ACACBPANK3HSD11B1ENPP2

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-9938292-B2 Quinoline derivatives as SMO inhibitors GUANGDONG ZHONGSHENG PHARMACEUTICAL CO., LTD (CN) 2018-04-10 US disclosed
US-20170174703-A1 QUINOLINE DERIVATIVES AS SMO INHIBITORS GUANGDONG ZHONGSHENG PHARMACEUTICAL CO., LTD (CN) 2017-06-22 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-20170174703-A1 QUINOLINE DERIVATIVES AS SMO INHIBITORS SMO, GLI1, SHH ACACB 3908/4885PANK3 2245/4885HSD11B1 3620/4885

“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.