SCHEMBL18436275

SCHEMBL18436275

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.44
HSD11B1 P28845 2/20 0.41
CHRM1 P11229 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
GRIN2D O15399 1/20 0.38
GRIN3B O60391 1/20 0.38
GRIN1 Q05586 1/20 0.38
GRIN2A Q12879 1/20 0.38
GRIN2B Q13224 1/20 0.38
GRIN2C Q14957 1/20 0.38
GRIN3A Q8TCU5 1/20 0.38
PANK3 Q9H999 1/20 0.38
CXCR3 P49682 1/20 0.38
GPR119 Q8TDV5 1/20 0.38
SLC6A9 P48067 2/20 0.37
PPARG P37231 1/20 0.36
PPARA Q07869 1/20 0.36
PARP1 P09874 1/20 0.36
CHRM2 P08172 1/20 0.36
SMO Q99835 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
SCHEMBL19012470 1.00 PDE10A (0.44) PDE10AHSD11B1CHRM1HRH3GRIN2D
SCHEMBL18436829 0.89 PDE10A (0.41) PDE10AHSD11B1CHRM1HRH3GRIN2D
SCHEMBL18436007 0.89 PDE10A (0.41) PDE10AHSD11B1CHRM1HRH3GRIN2D
SCHEMBL18436778 0.88 HSD11B1 (0.43) PDE10AHSD11B1CHRM1HRH3GRIN2D
SCHEMBL18436101 0.88 HSD11B1 (0.43) PDE10AHSD11B1CHRM1HRH3GRIN2D
SCHEMBL19012381 0.85 HSD11B1 (0.45) PDE10AHSD11B1CHRM1HRH3SLC6A9
SCHEMBL19012697 0.85 HSD11B1 (0.45) PDE10AHSD11B1CHRM1HRH3SLC6A9
SCHEMBL20034196 0.83 ACACB (0.48) HSD11B1CHRM1PANK3
SCHEMBL19012540 0.83 HSD11B1 (0.48) HSD11B1CHRM1HRH3PANK3CHRM2
SCHEMBL20034306 0.83 ACACB (0.48) HSD11B1CHRM1PANK3

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 PDE10A 1457/4885HSD11B1 3620/4885CHRM1 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.