SCHEMBL19001095

SCHEMBL19001095

C[C@@H]1CN(c2ccc(C(C)(C)C)cn2)C[C@H](C)N1C(=O)CC(C)(F)F

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.41
HPGD P15428 1/20 0.41
KDM4E B2RXH2 2/20 0.40
ABL1 P00519 1/20 0.40
LMNA P02545 1/20 0.40
HCRTR1 O43613 4/20 0.40
HCRTR2 O43614 4/20 0.40
MAPT P10636 3/20 0.40
ACACB O00763 2/20 0.40
HRH3 Q9Y5N1 1/20 0.40
ALDH1A1 P00352 1/20 0.40
ME2 P23368 1/20 0.40
ME1 P48163 1/20 0.40
ME3 Q16798 1/20 0.40
EIF2AK4 Q9P2K8 3/20 0.40
PANK3 Q9H999 1/20 0.39
CHRM1 P11229 2/20 0.38
CHRM2 P08172 1/20 0.38

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
SCHEMBL19000967 1.00 HSD11B1 (0.51) HSD11B1SMN1; SMN2HPGDKDM4EABL1
SCHEMBL19012382 0.93 HSD11B1 (0.51) HSD11B1SMN1; SMN2HPGDKDM4EABL1
SCHEMBL19012902 0.93 HSD11B1 (0.51) HSD11B1SMN1; SMN2HPGDKDM4EABL1
SCHEMBL19012540 0.87 HSD11B1 (0.48) HSD11B1SMN1; SMN2HPGDKDM4EABL1
SCHEMBL19001069 0.87 HSD11B1 (0.48) HSD11B1SMN1; SMN2HPGDKDM4EABL1
SCHEMBL19012472 0.87 HSD11B1 (0.48) HSD11B1SMN1; SMN2HPGDKDM4EABL1
SCHEMBL19000969 0.87 HSD11B1 (0.48) HSD11B1SMN1; SMN2HPGDKDM4EABL1
SCHEMBL19012569 0.86 HSD11B1 (0.50) HSD11B1SMN1; SMN2HPGDKDM4EABL1
SCHEMBL19012477 0.86 HSD11B1 (0.50) HSD11B1SMN1; SMN2HPGDKDM4EABL1
SCHEMBL19001033 0.84 HSD11B1 (0.53) HSD11B1SMN1; SMN2HPGDKDM4EABL1

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

“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.