SCHEMBL19012467

SCHEMBL19012467

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.44
HSD11B1 P28845 2/20 0.41
PANK3 Q9H999 1/20 0.40
FGFR2 P21802 3/20 0.40
FGFR1 P11362 2/20 0.40
HCAR2 Q8TDS4 1/20 0.39
PDE10A Q9Y233 1/20 0.39
HDAC1 Q13547 3/20 0.38
FGFR3 P22607 2/20 0.38
ACVR1 Q04771 2/20 0.38
BMPR1A P36894 1/20 0.38
TGFBR1 P36897 1/20 0.38
ACVRL1 P37023 1/20 0.38
HAMP P81172 1/20 0.38
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

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
SCHEMBL18436008 1.00 HRH3 (0.44) HRH3HSD11B1PANK3FGFR2FGFR1
SCHEMBL19001053 0.83 HSD11B1 (0.48) HRH3HSD11B1PANK3HCAR2HDAC1
SCHEMBL21336835 0.83 ACACB (0.45) HRH3HSD11B1FGFR2FGFR1HCAR2
SCHEMBL19012539 0.83 ACACB (0.54) HSD11B1PANK3
SCHEMBL19001094 0.83 HSD11B1 (0.48) HRH3HSD11B1PANK3HCAR2HDAC1
SCHEMBL18436007 0.81 PDE10A (0.41) HRH3HSD11B1PANK3HCAR2PDE10A
SCHEMBL18436829 0.81 PDE10A (0.41) HRH3HSD11B1PANK3HCAR2PDE10A
SCHEMBL18436275 0.81 PDE10A (0.44) HRH3HSD11B1PANK3PDE10AGRIN2D
SCHEMBL19012470 0.81 PDE10A (0.44) HRH3HSD11B1PANK3PDE10AGRIN2D
SCHEMBL18436101 0.80 HSD11B1 (0.43) HRH3HSD11B1PANK3PDE10AGRIN2D

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-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 HRH3 321/4885HSD11B1 3620/4885PANK3 2245/4885

“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.