SCHEMBL19001094

SCHEMBL19001094

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

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.48
HRH3 Q9Y5N1 3/20 0.42
HCRTR1 O43613 2/20 0.42
HCRTR2 O43614 2/20 0.42
TRPV1 Q8NER1 3/20 0.41
HDAC1 Q13547 3/20 0.41
HPGD P15428 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ACACB O00763 2/20 0.40
MAPT P10636 2/20 0.40
ALDH1A1 P00352 1/20 0.40
KDM4E B2RXH2 2/20 0.39
PANK3 Q9H999 1/20 0.38
POLB P06746 1/20 0.38
HCAR2 Q8TDS4 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
SCHEMBL19001053 1.00 HSD11B1 (0.48) HSD11B1HRH3HCRTR1HCRTR2TRPV1
SCHEMBL19012467 0.83 HRH3 (0.44) HSD11B1HRH3HDAC1PANK3HCAR2
SCHEMBL18436008 0.83 HRH3 (0.44) HSD11B1HRH3HDAC1PANK3HCAR2
SCHEMBL19012472 0.82 HSD11B1 (0.48) HSD11B1HRH3HCRTR1HCRTR2TRPV1
SCHEMBL19001071 0.82 HSD11B1 (0.48) HSD11B1HRH3HCRTR1HCRTR2TRPV1
SCHEMBL19001100 0.82 HSD11B1 (0.53) HSD11B1HRH3HCRTR1HCRTR2TRPV1
SCHEMBL19001069 0.82 HSD11B1 (0.48) HSD11B1HRH3HCRTR1HCRTR2TRPV1
SCHEMBL19012540 0.82 HSD11B1 (0.48) HSD11B1HRH3HCRTR1HCRTR2TRPV1
SCHEMBL19000969 0.82 HSD11B1 (0.48) HSD11B1HRH3HCRTR1HCRTR2TRPV1
SCHEMBL19001033 0.82 HSD11B1 (0.53) HSD11B1HRH3HCRTR1HCRTR2TRPV1

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 3620/4885HRH3 321/4885HCRTR1 1833/4885

“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.