SCHEMBL17128148

SCHEMBL17128148

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.42
HRH3 Q9Y5N1 1/20 0.41
DPP4 P27487 1/20 0.41
MAPT P10636 3/20 0.40
RAB9A P51151 4/20 0.40
ALDH1A1 P00352 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
KDM4E B2RXH2 2/20 0.40
HCAR2 Q8TDS4 1/20 0.40
MAPK1 P28482 1/20 0.40
LMNA P02545 2/20 0.40
SMO Q99835 1/20 0.40
HCAR3 P49019 1/20 0.40
P4HA1 P13674 1/20 0.40
MIF P14174 1/20 0.40
P4HTM Q9NXG6 1/20 0.40
NPC1 O15118 3/20 0.39
HDAC1 Q13547 3/20 0.39
TSHR P16473 1/20 0.39
OGA O60502 1/20 0.39

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
SCHEMBL17128146 0.86 RAB9A (0.52) HSD11B1HRH3MAPTRAB9AALDH1A1
SCHEMBL18436007 0.84 PDE10A (0.41) HSD11B1HRH3HCAR2TSHRCHRM1
SCHEMBL18436829 0.84 PDE10A (0.41) HSD11B1HRH3HCAR2TSHRCHRM1
SCHEMBL21336857 0.83 HSD11B1 (0.40) HSD11B1HRH3RAB9ASMN1; SMN2KDM4E
SCHEMBL17128141 0.83 HSD11B1 (0.45) HSD11B1HCAR2HDAC1CHRM1
SCHEMBL15546819 0.82 HRH3 (0.47) HSD11B1HRH3MAPTRAB9AALDH1A1
SCHEMBL18436431 0.81 CHRM1 (0.40) HSD11B1RAB9AALDH1A1SMN1; SMN2KDM4E
SCHEMBL19012473 0.81 ACACB (0.48) HSD11B1CHRM1
SCHEMBL21336716 0.81 HSD11B1 (0.39) HSD11B1MAPTRAB9AALDH1A1KDM4E
SCHEMBL19000969 0.81 HSD11B1 (0.48) HSD11B1HRH3MAPTALDH1A1SMN1; SMN2

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
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-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 3620/4885HRH3 321/4885DPP4 3025/4885

“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.