SCHEMBL18436191

SCHEMBL18436191

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

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.39
CHRM1 P11229 2/20 0.38
ACACB O00763 2/20 0.36
CHRM4 P08173 1/20 0.35
HCAR2 Q8TDS4 1/20 0.35
CHRM2 P08172 1/20 0.35
GRM1 Q13255 3/20 0.34
SORD Q00796 1/20 0.34
PIK3CD O00329 2/20 0.33
HCRTR1 O43613 1/20 0.32
HCRTR2 O43614 1/20 0.32
PIK3R1 P27986 1/20 0.32
HDAC1 Q13547 1/20 0.32
KMT2A Q03164 1/20 0.32
EIF2AK4 Q9P2K8 1/20 0.32

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
SCHEMBL17128297 0.85 HSD11B1 (0.40) HSD11B1CHRM1ACACBCHRM4CHRM2
SCHEMBL18436007 0.83 PDE10A (0.41) HSD11B1CHRM1ACACBHCAR2CHRM2
SCHEMBL18436829 0.83 PDE10A (0.41) HSD11B1CHRM1ACACBHCAR2CHRM2
SCHEMBL21336857 0.82 HSD11B1 (0.40) HSD11B1CHRM1ACACBHCAR2CHRM2
SCHEMBL17128141 0.82 HSD11B1 (0.45) HSD11B1CHRM1ACACBHCAR2CHRM2
SCHEMBL17128148 0.81 HSD11B1 (0.42) HSD11B1CHRM1HCAR2HDAC1KMT2A
SCHEMBL18436431 0.80 CHRM1 (0.40) HSD11B1CHRM1ACACBCHRM4HCAR2
SCHEMBL19000969 0.80 HSD11B1 (0.48) HSD11B1CHRM1ACACBCHRM2GRM1
SCHEMBL21336716 0.80 HSD11B1 (0.39) HSD11B1CHRM1ACACBHCAR2CHRM2
SCHEMBL19012473 0.80 ACACB (0.48) HSD11B1CHRM1ACACB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 3620/4885CHRM1 4004/4885ACACB 3908/4885

“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.