SCHEMBL18436778

SCHEMBL18436778

Cc1ccc(N2CC(C)N(C(=O)CN)C(C)C2)nc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.43
PDE10A Q9Y233 1/20 0.41
CHRM1 P11229 1/20 0.39
AOC3 Q16853 2/20 0.39
HRH3 Q9Y5N1 1/20 0.38
CPB2 Q96IY4 3/20 0.38
PANK3 Q9H999 1/20 0.37
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
CXCR3 P49682 1/20 0.37
GPR119 Q8TDV5 1/20 0.37
DHFR P00374 1/20 0.37
SLC6A9 P48067 1/20 0.36
PPARG P37231 1/20 0.36
PPARA Q07869 1/20 0.36

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
SCHEMBL18436101 1.00 HSD11B1 (0.43) HSD11B1PDE10ACHRM1AOC3HRH3
SCHEMBL18436275 0.88 PDE10A (0.44) HSD11B1PDE10ACHRM1HRH3PANK3
SCHEMBL19012470 0.88 PDE10A (0.44) HSD11B1PDE10ACHRM1HRH3PANK3
SCHEMBL18436829 0.88 PDE10A (0.41) HSD11B1PDE10ACHRM1HRH3PANK3
SCHEMBL18436007 0.88 PDE10A (0.41) HSD11B1PDE10ACHRM1HRH3PANK3
SCHEMBL18436960 0.86 HSD11B1 (0.42) HSD11B1CHRM1AOC3CHRM2
SCHEMBL19012569 0.84 HSD11B1 (0.50) HSD11B1CHRM1AOC3HRH3PANK3
SCHEMBL19012477 0.84 HSD11B1 (0.50) HSD11B1CHRM1AOC3HRH3PANK3
SCHEMBL19012697 0.84 HSD11B1 (0.45) HSD11B1PDE10ACHRM1HRH3SLC6A9
SCHEMBL19012381 0.84 HSD11B1 (0.45) HSD11B1PDE10ACHRM1HRH3SLC6A9

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 HSD11B1 3620/4885PDE10A 1457/4885CHRM1 4004/4885

“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.