SCHEMBL18436102

SCHEMBL18436102

Cc1ccc(N2C[C@@H](C)N(C(=O)C(C)N)[C@@H](C)C2)nc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.42
HSD11B1 P28845 2/20 0.42
PANK3 Q9H999 1/20 0.41
GRIN2D O15399 1/20 0.39
GRIN3B O60391 1/20 0.39
GRIN1 Q05586 1/20 0.39
GRIN2A Q12879 1/20 0.39
GRIN2B Q13224 1/20 0.39
GRIN2C Q14957 1/20 0.39
GRIN3A Q8TCU5 1/20 0.39
CPB2 Q96IY4 3/20 0.39
PDE10A Q9Y233 1/20 0.38
XIAP P98170 1/20 0.37
BIRC2 Q13490 1/20 0.37
GPR119 Q8TDV5 1/20 0.36
SLC6A9 P48067 1/20 0.36
ACACB O00763 2/20 0.35
CXCR3 P49682 1/20 0.35
HDAC1 Q13547 1/20 0.35
GRM1 Q13255 1/20 0.35

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
SCHEMBL18436788 1.00 HRH3 (0.42) HRH3HSD11B1PANK3GRIN2DGRIN3B
SCHEMBL18436271 0.88 HRH3 (0.43) HRH3HSD11B1PANK3GRIN2DGRIN3B
SCHEMBL19012599 0.88 HRH3 (0.43) HRH3HSD11B1PANK3GRIN2DGRIN3B
SCHEMBL18436795 0.87 HRH3 (0.42) HRH3HSD11B1PANK3GRIN2DGRIN3B
SCHEMBL18436274 0.87 HRH3 (0.42) HRH3HSD11B1PANK3GRIN2DGRIN3B
SCHEMBL19012474 0.86 ACACB (0.48) HRH3HSD11B1PANK3ACACB
SCHEMBL19012607 0.84 HSD11B1 (0.49) HRH3HSD11B1GRIN2BACACBHDAC1
SCHEMBL19012544 0.84 HSD11B1 (0.49) HRH3HSD11B1GRIN2BACACBHDAC1
SCHEMBL18436101 0.81 HSD11B1 (0.43) HRH3HSD11B1PANK3GRIN2DGRIN3B
SCHEMBL18436778 0.81 HSD11B1 (0.43) HRH3HSD11B1PANK3GRIN2DGRIN3B

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 3 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-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 HRH3 321/4885HSD11B1 3620/4885PANK3 2245/4885

“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.