SCHEMBL18436696

SCHEMBL18436696

CCC(=O)N1[C@H](C)CN(c2ccc(NC(=O)c3cnc4c(-c5ccc(C#N)cc5)cccc4c3C3CC3)cn2)C[C@@H]1C

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FASN P49327 5/20 0.42
SMO Q99835 2/20 0.40
PGR P06401 1/20 0.40
GPR183 P32249 1/20 0.40
PPARG P37231 2/20 0.39
CHRM1 P11229 1/20 0.39
CHRM2 P08172 1/20 0.38
KCNH2 Q12809 1/20 0.35
MCHR1 Q99705 1/20 0.35
EGLN1 Q9GZT9 4/20 0.35
IRAK4 Q9NWZ3 1/20 0.34
PARP1 P09874 2/20 0.34
PARP2 Q9UGN5 1/20 0.34
DGAT1 O75907 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
SCHEMBL18436226 1.00 FASN (0.42) FASNSMOPGRGPR183PPARG
SCHEMBL17128371 1.00 FASN (0.42) FASNSMOPGRGPR183PPARG
SCHEMBL21336718 1.00 FASN (0.42) FASNSMOPGRGPR183PPARG
SCHEMBL18436227 0.91 FASN (0.44) FASNSMOPGRGPR183PPARG
SCHEMBL18436939 0.89 SMO (0.42) FASNSMOPGRGPR183PPARG
SCHEMBL17127016 0.89 SMO (0.42) FASNSMOPGRGPR183PPARG
SCHEMBL21336678 0.88 SMO (0.53) FASNSMOPGRGPR183PPARG
SCHEMBL17128002 0.88 SMO (0.53) FASNSMOPGRGPR183PPARG
SCHEMBL18436105 0.81 CHRM1 (0.43) SMOCHRM1CHRM2EGLN1PARP1
SCHEMBL17128172 0.81 CHRM1 (0.43) SMOCHRM1CHRM2EGLN1PARP1

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 6 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

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 FASN 3487/4885SMO 1/4885PGR 3813/4885

“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.