SCHEMBL19001145

SCHEMBL19001145

C[C@@H]1C[C@H](C)CN(c2ccc(C(C)(C)C)cc2F)C1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.35
HSD11B1 P28845 1/20 0.35
KDM4E B2RXH2 4/20 0.34
HTT P42858 2/20 0.34
HPGD P15428 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ALDH1A1 P00352 2/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
MAOB P27338 2/20 0.34
MAOA P21397 1/20 0.34
POLB P06746 1/20 0.33
PDE3B Q13370 1/20 0.33
PDE3A Q14432 1/20 0.33
ALOX5AP P20292 1/20 0.33
HRH3 Q9Y5N1 1/20 0.32
KDM1A O60341 1/20 0.32
TRPV1 Q8NER1 1/20 0.32

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
SCHEMBL19000961 1.00 GAA (0.35) GAAHSD11B1KDM4EHTTHPGD
SCHEMBL19001117 0.84 ALDH1A1 (0.35) GAAHSD11B1KDM4EHPGDALDH1A1
SCHEMBL19001017 0.84 ALDH1A1 (0.35) GAAHSD11B1KDM4EHPGDALDH1A1
SCHEMBL19012390 0.83 KDM4E (0.51) GAAKDM4EHTTSMN1; SMN2ALDH1A1
SCHEMBL19012688 0.83 KDM4E (0.51) GAAKDM4EHTTSMN1; SMN2ALDH1A1
SCHEMBL19001101 0.81 ALDH1A1 (0.42) HSD11B1KDM4EHTTALDH1A1LMNA
SCHEMBL19000980 0.81 ALDH1A1 (0.42) HSD11B1KDM4EHTTALDH1A1LMNA
SCHEMBL19001008 0.81 ALDH1A1 (0.34) HSD11B1KDM4EHTTHPGDSMN1; SMN2
SCHEMBL19001085 0.81 ALDH1A1 (0.34) HSD11B1KDM4EHTTHPGDSMN1; SMN2
SCHEMBL10202723 0.80 HSD11B1 (0.38) HSD11B1SMN1; SMN2ALDH1A1MAOBMAOA

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 GAA 2952/4885HSD11B1 3620/4885KDM4E 415/4885

“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.