SCHEMBL19001262

SCHEMBL19001262

C[C@@H]1C[C@H](C)CN(c2ccc(C(C)(C)C)c(Cl)c2)C1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.40
NOTUM Q6P988 2/20 0.39
MAPT P10636 1/20 0.38
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
NPC1 O15118 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HSD11B1 P28845 6/20 0.34
CNR2 P34972 1/20 0.34
STING1 Q86WV6 4/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 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
SCHEMBL19001012 1.00 POLB (0.40) POLBNOTUMMAPTMEN1KMT2A
SCHEMBL19001045 0.83 MAPT (0.42) NOTUMMAPTMEN1KMT2ANPC1
SCHEMBL19012613 0.83 MAPT (0.42) NOTUMMAPTMEN1KMT2ANPC1
SCHEMBL19001258 0.83 MAPT (0.38) POLBMAPTMEN1KMT2ANPC1
SCHEMBL19001020 0.83 MAPT (0.38) POLBMAPTMEN1KMT2ANPC1
SCHEMBL19001249 0.81 MAPT (0.38) POLBNOTUMMAPTMEN1KMT2A
SCHEMBL19000982 0.81 MAPT (0.38) POLBNOTUMMAPTMEN1KMT2A
SCHEMBL13727502 0.77 MAPT (0.45) NOTUMMAPTMEN1KMT2AALDH1A1
SCHEMBL21718936 0.76 MEN1 (0.47) POLBNOTUMMAPTMEN1KMT2A
SCHEMBL16001193 0.74 HTR3A (0.47) MAPTMEN1KMT2ANPC1ALDH1A1

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 POLB 4131/4885NOTUM 4058/4885MAPT 4195/4885

“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.