SCHEMBL19001068

SCHEMBL19001068

C[C@@H]1C[C@H](C)CN(c2ccc(C(C)(C)C)nc2)C1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.58
POLB P06746 2/20 0.47
CHRNB4 P30926 3/20 0.41
CHRNA3 P32297 3/20 0.41
RAB9A P51151 2/20 0.40
KDM4E B2RXH2 1/20 0.39
GAA P10253 1/20 0.39
CHRNB2 P17787 4/20 0.39
CHRNA4 P43681 4/20 0.39
NPC1 O15118 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
CHRNA7 P36544 1/20 0.35

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
SCHEMBL19001128 1.00 MAPT (0.58) MAPTPOLBCHRNB4CHRNA3RAB9A
SCHEMBL20414145 0.83 CHRNB4 (0.43) MAPTCHRNB4CHRNA3RAB9ACHRNB2
SCHEMBL22601593 0.83 MAPT (0.59) MAPTCHRNB4CHRNA3RAB9AKDM4E
SCHEMBL19012399 0.83 MAPT (0.59) MAPTCHRNB4CHRNA3RAB9AKDM4E
SCHEMBL20414144 0.83 MAPT (0.40) MAPTCHRNB4CHRNA3RAB9ACHRNB2
SCHEMBL20249253 0.78 CHRNB2 (0.61) CHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL22601466 0.78 MAPT (0.42) MAPTCHRNB4CHRNA3RAB9ACHRNB2
SCHEMBL20414146 0.77 MAPT (0.43) MAPTCHRNB2CHRNA4ALDH1A1
SCHEMBL22601459 0.76 MAPT (0.50) MAPTGAACHRNB2CHRNA4ALDH1A1
SCHEMBL22601570 0.76 MAPT (0.43) MAPTPOLBRAB9A

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 MAPT 4195/4885POLB 4131/4885CHRNB4 2853/4885

“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.