SCHEMBL19001101

SCHEMBL19001101

C[C@@H]1C[C@H](C)CN(c2ccc(C(C)(C)C)cc2Cl)C1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.42
HTT P42858 2/20 0.42
LMNA P02545 2/20 0.36
HSD11B1 P28845 2/20 0.36
TRPV1 Q8NER1 5/20 0.35
RECQL P46063 1/20 0.34
POLB P06746 2/20 0.34
CNR2 P34972 1/20 0.34
MAPT P10636 2/20 0.34
KDM4E B2RXH2 2/20 0.33
CYP2C19 P33261 1/20 0.33
RAD52 P43351 1/20 0.33
SIGMAR1 Q99720 1/20 0.33

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
SCHEMBL19000980 1.00 ALDH1A1 (0.42) ALDH1A1HTTLMNAHSD11B1TRPV1
SCHEMBL25675662 0.84 HTT (0.48) ALDH1A1HTTLMNAHSD11B1TRPV1
SCHEMBL19001117 0.84 ALDH1A1 (0.35) ALDH1A1LMNAHSD11B1TRPV1RECQL
SCHEMBL19001017 0.84 ALDH1A1 (0.35) ALDH1A1LMNAHSD11B1TRPV1RECQL
SCHEMBL19012687 0.83 KMT2A (0.43) ALDH1A1HTTLMNATRPV1KDM4E
SCHEMBL19012392 0.83 KMT2A (0.43) ALDH1A1HTTLMNATRPV1KDM4E
SCHEMBL25675666 0.83 RECQL (0.39) ALDH1A1HTTLMNAHSD11B1TRPV1
SCHEMBL19001085 0.81 ALDH1A1 (0.34) ALDH1A1HTTLMNAHSD11B1POLB
SCHEMBL19001008 0.81 ALDH1A1 (0.34) ALDH1A1HTTLMNAHSD11B1POLB
SCHEMBL19000961 0.81 GAA (0.35) ALDH1A1HTTLMNAHSD11B1TRPV1

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 ALDH1A1 892/4885HTT 1275/4885LMNA 4670/4885

“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.