SCHEMBL19001024

SCHEMBL19001024

CC1CN(c2ccc(C(C)(C)C)cc2)CC(C)N1C(=O)OC(C)(C)C

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 4/20 0.51
GPR119 Q8TDV5 7/20 0.43
ACACB O00763 3/20 0.42
ALDH1A1 P00352 2/20 0.40
LMNA P02545 2/20 0.40
MAPT P10636 2/20 0.40
KDM4E B2RXH2 1/20 0.40
HTT P42858 1/20 0.40
RORC P51449 1/20 0.39
RAB9A P51151 1/20 0.38
KMT2A Q03164 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
SCHEMBL19001114 0.87 ACACB (0.46) HSD11B1ACACBALDH1A1LMNAMAPT
SCHEMBL19001042 0.87 ACACB (0.46) HSD11B1ACACBALDH1A1LMNAMAPT
SCHEMBL19001084 0.87 ACACB (0.46) HSD11B1ACACBALDH1A1LMNAMAPT
SCHEMBL18436754 0.87 GPR119 (0.56) HSD11B1GPR119ALDH1A1LMNAMAPT
SCHEMBL24681357 0.86 GPR119 (0.43) HSD11B1GPR119ALDH1A1LMNAMAPT
SCHEMBL5726247 0.86 GPR119 (0.43) HSD11B1GPR119ALDH1A1LMNAMAPT
SCHEMBL6073574 0.86 GPR119 (0.43) HSD11B1GPR119ALDH1A1LMNAMAPT
SCHEMBL21336726 0.86 GPR119 (0.56) GPR119ALDH1A1LMNAMAPTRORC
SCHEMBL7661674 0.85 GPR119 (0.58) GPR119ALDH1A1LMNAMAPTHTT
SCHEMBL7661671 0.85 GPR119 (0.58) GPR119ALDH1A1LMNAMAPTHTT

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 3620/4885GPR119 1965/4885ACACB 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.