SCHEMBL17128175

SCHEMBL17128175

COC(=O)N1[C@H](C)CN(c2ccc(-c3cnc4c(-c5ccc(C#N)cc5)cccc4c3OC)cn2)C[C@@H]1C

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.39
CHRM1 P11229 1/20 0.38
EGLN1 Q9GZT9 13/20 0.37
PARP1 P09874 2/20 0.36
PARP2 Q9UGN5 1/20 0.36
HRH4 Q9H3N8 1/20 0.36
RET P07949 1/20 0.36
KIT P10721 1/20 0.36

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
SCHEMBL18436834 1.00 CHRM2 (0.39) CHRM2CHRM1EGLN1PARP1PARP2
SCHEMBL17128386 1.00 CHRM2 (0.39) CHRM2CHRM1EGLN1PARP1PARP2
SCHEMBL18436078 1.00 CHRM2 (0.39) CHRM2CHRM1EGLN1PARP1PARP2
SCHEMBL18436341 0.92 CHRM2 (0.37) CHRM2EGLN1HRH4KIT
SCHEMBL17127783 0.92 CHRM2 (0.37) CHRM2EGLN1HRH4KIT
SCHEMBL18436126 0.92 CHRM2 (0.37) CHRM2EGLN1HRH4KIT
SCHEMBL21336923 0.92 CHRM2 (0.37) CHRM2EGLN1HRH4KIT
SCHEMBL21336763 0.91 CHRM1 (0.42) CHRM2CHRM1EGLN1PARP1PARP2
SCHEMBL18420369 0.91 CHRM1 (0.42) CHRM2CHRM1EGLN1PARP1PARP2
SCHEMBL17128197 0.91 CHRM1 (0.38) CHRM2CHRM1EGLN1PARP1PARP2

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 CHRM2 3451/4885CHRM1 4004/4885EGLN1 650/4885

“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.