SCHEMBL19001037

SCHEMBL19001037

CC(C)C(=O)N1C(C)CN(c2ccc(C(C)(C)C)cn2)CC1C

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.48
HRH3 Q9Y5N1 4/20 0.42
ACACB O00763 2/20 0.42
HCRTR1 O43613 2/20 0.38
HCRTR2 O43614 2/20 0.38
KDM4E B2RXH2 2/20 0.38
ABL1 P00519 1/20 0.38
LMNA P02545 1/20 0.38
TRPV1 Q8NER1 3/20 0.37
MAPT P10636 3/20 0.37
ALDH1A1 P00352 1/20 0.37
GRIN2B Q13224 1/20 0.37
RET P07949 1/20 0.37
EIF2AK4 Q9P2K8 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PANK3 Q9H999 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
SCHEMBL19001071 1.00 HSD11B1 (0.48) HSD11B1HRH3ACACBHCRTR1HCRTR2
SCHEMBL19001106 0.91 HSD11B1 (0.47) HSD11B1HRH3ACACBHCRTR1HCRTR2
SCHEMBL19001133 0.91 HSD11B1 (0.47) HSD11B1HRH3ACACBHCRTR1HCRTR2
SCHEMBL19001107 0.90 HSD11B1 (0.49) HSD11B1HRH3ACACBHCRTR1HCRTR2
SCHEMBL19012607 0.90 HSD11B1 (0.49) HSD11B1HRH3ACACBHCRTR1HCRTR2
SCHEMBL19001129 0.90 HSD11B1 (0.49) HSD11B1HRH3ACACBHCRTR1HCRTR2
SCHEMBL19012544 0.90 HSD11B1 (0.49) HSD11B1HRH3ACACBHCRTR1HCRTR2
SCHEMBL19012540 0.82 HSD11B1 (0.48) HSD11B1HRH3ACACBHCRTR1HCRTR2
SCHEMBL19000969 0.82 HSD11B1 (0.48) HSD11B1HRH3ACACBHCRTR1HCRTR2
SCHEMBL19001094 0.82 HSD11B1 (0.48) HSD11B1HRH3ACACBHCRTR1HCRTR2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 321/4885ACACB 3908/4885

“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.