SCHEMBL19001133

SCHEMBL19001133

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

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.47
HRH3 Q9Y5N1 4/20 0.41
ACACB O00763 2/20 0.41
MAPT P10636 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HCRTR1 O43613 2/20 0.37
HCRTR2 O43614 2/20 0.37
TRPV1 Q8NER1 3/20 0.37
KDM4E B2RXH2 1/20 0.37
ABL1 P00519 1/20 0.37
LMNA P02545 1/20 0.37
ALDH1A1 P00352 1/20 0.37
GRIN2B Q13224 1/20 0.37
SORD Q00796 3/20 0.36
EIF2AK4 Q9P2K8 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
SCHEMBL19001106 1.00 HSD11B1 (0.47) HSD11B1HRH3ACACBMAPTSMN1; SMN2
SCHEMBL19001071 0.91 HSD11B1 (0.48) HSD11B1HRH3ACACBMAPTSMN1; SMN2
SCHEMBL19001037 0.91 HSD11B1 (0.48) HSD11B1HRH3ACACBMAPTSMN1; SMN2
SCHEMBL19001107 0.89 HSD11B1 (0.49) HSD11B1HRH3ACACBMAPTSMN1; SMN2
SCHEMBL19012544 0.89 HSD11B1 (0.49) HSD11B1HRH3ACACBMAPTSMN1; SMN2
SCHEMBL19001129 0.89 HSD11B1 (0.49) HSD11B1HRH3ACACBMAPTSMN1; SMN2
SCHEMBL19012607 0.89 HSD11B1 (0.49) HSD11B1HRH3ACACBMAPTSMN1; SMN2
SCHEMBL18436271 0.84 HRH3 (0.43) HSD11B1HRH3ACACBGRIN2BSORD
SCHEMBL19012599 0.84 HRH3 (0.43) HSD11B1HRH3ACACBGRIN2BSORD
SCHEMBL19012602 0.82 ACACB (0.49) HSD11B1ACACBSORD

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.