SCHEMBL19001075

SCHEMBL19001075

C[C@@H]1CN(c2ccc(C(C)(C)C)c(F)c2)C[C@H](C)O1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.42
KDM4E B2RXH2 1/20 0.41
HTT P42858 1/20 0.41
RAB9A P51151 1/20 0.39
KMT2A Q03164 3/20 0.36
ALDH1A1 P00352 2/20 0.36
MEN1 O00255 1/20 0.36
NTRK1 P04629 1/20 0.35
LRRK2 Q5S007 1/20 0.35
PDE3B Q13370 1/20 0.34
PDE3A Q14432 1/20 0.34
FGFR1 P11362 1/20 0.34
FGFR2 P21802 1/20 0.34
FGFR3 P22607 1/20 0.34
KDR P35968 1/20 0.34
TSHR P16473 2/20 0.34
SIGMAR1 Q99720 2/20 0.34
HSD17B10 Q99714 1/20 0.34

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
SCHEMBL19012623 1.00 MAPT (0.42) MAPTKDM4EHTTRAB9AKMT2A
SCHEMBL19012624 0.83 MAPT (0.43) MAPTKDM4ERAB9AKMT2AALDH1A1
SCHEMBL19000982 0.83 MAPT (0.38) MAPTKDM4EKMT2AALDH1A1MEN1
SCHEMBL19001249 0.83 MAPT (0.38) MAPTKDM4EKMT2AALDH1A1MEN1
SCHEMBL19001153 0.83 MAPT (0.43) MAPTKDM4ERAB9AKMT2AALDH1A1
SCHEMBL19012722 0.83 NOTUM (0.33) MAPTKDM4EHTTKMT2ATSHR
SCHEMBL19001045 0.82 MAPT (0.42) MAPTKDM4EHTTRAB9AKMT2A
SCHEMBL19012613 0.82 MAPT (0.42) MAPTKDM4EHTTRAB9AKMT2A
SCHEMBL16087803 0.80 RXRA (0.35)
SCHEMBL16087811 0.80 RXRA (0.35)

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 MAPT 4195/4885KDM4E 415/4885HTT 1275/4885

“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.