SCHEMBL17128356

SCHEMBL17128356

Cc1cc(C)nc(C2(O)CCNCC2)c1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.42
SYK P43405 1/20 0.37
DRD2 P14416 1/20 0.36
SIGMAR1 Q99720 1/20 0.35
NOS3 P29474 2/20 0.34
NOS2 P35228 2/20 0.34
NOS1 P29475 1/20 0.34
PIM1 P11309 2/20 0.31
PIM3 Q86V86 1/20 0.30
PIM2 Q9P1W9 1/20 0.30
GPR4 P46093 1/20 0.30
KCNH2 Q12809 1/20 0.30

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
SCHEMBL19012359 0.78 NOS3 (0.33) OPRM1NOS3NOS2NOS1
SCHEMBL19001141 0.76 OPRM1 (0.36) OPRM1NOS3NOS2NOS1KCNH2
SCHEMBL2269349 0.75 SYK (0.41) OPRM1SYKDRD2SIGMAR1NOS3
Hydrochloric Acid SCHEMBL5696501 0.73 SYK (0.40) OPRM1SYKDRD2SIGMAR1NOS3
SCHEMBL2273415 0.72 OPRM1 (0.64) OPRM1SYKDRD2SIGMAR1
SCHEMBL27029861 0.66 KMT2A (0.41)
SCHEMBL5696483 0.66 DRD2 (0.36) OPRM1DRD2SIGMAR1
SCHEMBL2273078 0.66 OPRM1 (0.50) OPRM1SYKDRD2SIGMAR1
SCHEMBL613058 0.64 DRD2 (0.66) OPRM1DRD2SIGMAR1KCNH2
SCHEMBL20135342 0.64 OPRM1 (0.37) OPRM1SYKDRD2SIGMAR1NOS3

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
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 OPRM1 4152/4885SYK 4212/4885DRD2 3066/4885

“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.