SCHEMBL19001069

SCHEMBL19001069

CCC(=O)N1[C@H](C)CN(c2ccc(C(C)(C)C)cn2)C[C@@H]1C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.48
HPGD P15428 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HCRTR1 O43613 3/20 0.40
HCRTR2 O43614 3/20 0.40
PANK3 Q9H999 1/20 0.40
CHRM1 P11229 1/20 0.40
TRPV1 Q8NER1 2/20 0.39
KDM4E B2RXH2 1/20 0.38
ABL1 P00519 1/20 0.38
LMNA P02545 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
ACACB O00763 1/20 0.38
EIF2AK4 Q9P2K8 3/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
ME2 P23368 2/20 0.37
ME1 P48163 2/20 0.37
ME3 Q16798 2/20 0.37
GRM1 Q13255 1/20 0.37

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
SCHEMBL19000969 1.00 HSD11B1 (0.48) HSD11B1HPGDSMN1; SMN2HCRTR1HCRTR2
SCHEMBL19012472 0.90 HSD11B1 (0.48) HSD11B1HPGDSMN1; SMN2HCRTR1HCRTR2
SCHEMBL19012540 0.90 HSD11B1 (0.48) HSD11B1HPGDSMN1; SMN2HCRTR1HCRTR2
SCHEMBL19012477 0.89 HSD11B1 (0.50) HSD11B1HPGDSMN1; SMN2HCRTR1HCRTR2
SCHEMBL19012569 0.89 HSD11B1 (0.50) HSD11B1HPGDSMN1; SMN2HCRTR1HCRTR2
SCHEMBL19001095 0.87 HSD11B1 (0.51) HSD11B1HPGDSMN1; SMN2HCRTR1HCRTR2
SCHEMBL19012382 0.87 HSD11B1 (0.51) HSD11B1HPGDSMN1; SMN2HCRTR1HCRTR2
SCHEMBL19000967 0.87 HSD11B1 (0.51) HSD11B1HPGDSMN1; SMN2HCRTR1HCRTR2
SCHEMBL19012902 0.87 HSD11B1 (0.51) HSD11B1HPGDSMN1; SMN2HCRTR1HCRTR2
SCHEMBL19001048 0.86 HPGD (0.42) HSD11B1HPGDSMN1; SMN2HCRTR1HCRTR2

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 4 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-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

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 3620/4885HPGD 1225/4885SMN1; SMN2 4029/4885

“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.