SCHEMBL18436271

SCHEMBL18436271

Cc1ccc(N2C[C@@H](C)N(C(=O)C(C)O)[C@@H](C)C2)nc1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.43
PANK3 Q9H999 1/20 0.42
HSD11B1 P28845 2/20 0.40
GPR119 Q8TDV5 1/20 0.39
PDE10A Q9Y233 1/20 0.38
SORD Q00796 7/20 0.38
GRIN2D O15399 1/20 0.37
GRIN3B O60391 1/20 0.37
GRIN1 Q05586 1/20 0.37
GRIN2A Q12879 1/20 0.37
GRIN2B Q13224 1/20 0.37
GRIN2C Q14957 1/20 0.37
GRIN3A Q8TCU5 1/20 0.37
SLC6A9 P48067 1/20 0.36
ACACB O00763 2/20 0.36
GRM1 Q13255 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
SCHEMBL19012599 1.00 HRH3 (0.43) HRH3PANK3HSD11B1GPR119PDE10A
SCHEMBL18436102 0.88 HRH3 (0.42) HRH3PANK3HSD11B1GPR119PDE10A
SCHEMBL18436795 0.88 HRH3 (0.42) HRH3PANK3HSD11B1GPR119PDE10A
SCHEMBL18436274 0.88 HRH3 (0.42) HRH3PANK3HSD11B1GPR119PDE10A
SCHEMBL18436788 0.88 HRH3 (0.42) HRH3PANK3HSD11B1GPR119PDE10A
SCHEMBL19012728 0.86 ACACB (0.49) PANK3HSD11B1SORDACACB
SCHEMBL19012602 0.86 ACACB (0.49) PANK3HSD11B1SORDACACB
SCHEMBL19001106 0.84 HSD11B1 (0.47) HRH3HSD11B1SORDGRIN2BACACB
SCHEMBL19001133 0.84 HSD11B1 (0.47) HRH3HSD11B1SORDGRIN2BACACB
SCHEMBL19012467 0.80 HRH3 (0.44) HRH3PANK3HSD11B1GPR119PDE10A

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-20170174703-A1 QUINOLINE DERIVATIVES AS SMO INHIBITORS GUANGDONG ZHONGSHENG PHARMACEUTICAL CO., LTD (CN) 2017-06-22 US disclosed
EP-3124482-A1 QUINOLINE DERIVATIVES AS SMO INHIBITORS GUANGDONG ZHONGSHENG PHARMACEUTICAL CO., LTD (CN) 2017-02-01 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-20170174703-A1 QUINOLINE DERIVATIVES AS SMO INHIBITORS SMO, GLI1, SHH HRH3 321/4885PANK3 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.