SCHEMBL17128141

SCHEMBL17128141

CCC(=O)N1[C@H](C)CN(c2ccc(N)cn2)C[C@@H]1C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 3/20 0.45
ACACB O00763 3/20 0.39
CHRM1 P11229 1/20 0.39
HDAC1 Q13547 5/20 0.38
SORD Q00796 1/20 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
HCAR2 Q8TDS4 1/20 0.36
CHRM2 P08172 1/20 0.36
GRM1 Q13255 2/20 0.35
PIK3CD O00329 1/20 0.34
AOC3 Q16853 1/20 0.34
HDAC3 O15379 1/20 0.34
CYP2C9 P11712 1/20 0.34
SLC6A4 P31645 1/20 0.34

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
SCHEMBL18436007 0.85 PDE10A (0.41) HSD11B1ACACBCHRM1GRIN2DGRIN3B
SCHEMBL18436829 0.85 PDE10A (0.41) HSD11B1ACACBCHRM1GRIN2DGRIN3B
SCHEMBL21336857 0.84 HSD11B1 (0.40) HSD11B1ACACBCHRM1SORDHCAR2
SCHEMBL17128148 0.83 HSD11B1 (0.42) HSD11B1CHRM1HDAC1HCAR2
SCHEMBL18436191 0.82 HSD11B1 (0.39) HSD11B1ACACBCHRM1HDAC1SORD
SCHEMBL19000969 0.82 HSD11B1 (0.48) HSD11B1ACACBCHRM1CHRM2GRM1
SCHEMBL21336716 0.82 HSD11B1 (0.39) HSD11B1ACACBCHRM1HCAR2CHRM2
SCHEMBL19012726 0.82 ACACB (0.48) HSD11B1ACACBCHRM1
SCHEMBL18436431 0.82 CHRM1 (0.40) HSD11B1ACACBCHRM1HDAC1SORD
SCHEMBL19012473 0.82 ACACB (0.48) HSD11B1ACACBCHRM1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3124482-B1 QUINOLINE DERIVATIVES AS SMO INHIBITORS GUANGDONG ZHONGSHENG PHARMACEUTICAL CO LTD (CN) 2019-09-11 EP disclosed
US-9938292-B2 Quinoline derivatives as SMO inhibitors GUANGDONG ZHONGSHENG PHARMACEUTICAL CO., LTD (CN) 2018-04-10 US disclosed
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
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
WO-2015144001-A1 QUINOLINE DERIVATIVES AS SMO INHIBITORS 南京明德新药研发股份有限公司 2015-10-01 WO 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 3620/4885ACACB 3908/4885CHRM1 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.