SCHEMBL13329487

SCHEMBL13329487

CN(Cc1ccccc1)Cc1cnc([C@@](O)(c2ccccc2)C2CCCC2)o1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 11/20 0.39
SLC18A3 Q16572 1/20 0.36
CHRM2 P08172 10/20 0.36
CHRM4 P08173 10/20 0.36
CHRM5 P08912 10/20 0.36
CHRM1 P11229 10/20 0.36
ATM Q13315 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ALDH1A1 P00352 1/20 0.35
HRH1 P35367 2/20 0.35
MEN1 O00255 1/20 0.35
LMNA P02545 1/20 0.35
CYP2D6 P10635 1/20 0.35
SCN1A P35498 1/20 0.35
KMT2A Q03164 1/20 0.35
SCN2A Q99250 1/20 0.35
SCN3A Q9NY46 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
SCHEMBL13329484 1.00 CHRM3 (0.39) CHRM3SLC18A3CHRM2CHRM4CHRM5
SCHEMBL1109796 1.00 CHRM3 (0.39) CHRM3SLC18A3CHRM2CHRM4CHRM5
SCHEMBL3226320 0.89 CHRM3 (0.39) CHRM3SLC18A3CHRM2CHRM4CHRM5
SCHEMBL3226330 0.89 CHRM3 (0.39) CHRM3SLC18A3CHRM2CHRM4CHRM5
SCHEMBL13329443 0.89 ALDH1A1 (0.40) CHRM3CHRM2CHRM4CHRM5CHRM1
SCHEMBL1109822 0.89 ALDH1A1 (0.40) CHRM3CHRM2CHRM4CHRM5CHRM1
SCHEMBL3218882 0.89 ALDH1A1 (0.40) CHRM3CHRM2CHRM4CHRM5CHRM1
SCHEMBL1109782 0.87 CHRM3 (0.41) CHRM3CHRM2CHRM4CHRM5CHRM1
SCHEMBL1109790 0.87 CHRM3 (0.41) CHRM3CHRM2CHRM4CHRM5CHRM1
SCHEMBL1109780 0.87 CHRM3 (0.41) CHRM3CHRM2CHRM4CHRM5CHRM1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120277275-A1 AZOLE AND THIAZOLE DERIVATIVES AND THEIR USE PULMAGEN THERAPEUTICS (SYNERGY) LIMITED (GB) 2012-11-01 US disclosed
US-20120277275-A1 AZOLE AND THIAZOLE DERIVATIVES AND THEIR USE PULMAGEN THERAPEUTICS (SYNERGY) LIMITED (GB) 2012-11-01 US disclosed
US-20100113540-A1 Azole and Thiazole Derivatives and Their Use ARGENTA DISCOVERY LIMITED (GB) 2010-05-06 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 (2 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-20100113540-A1 Azole and Thiazole Derivatives and Their Use CHRM3, CHRM2, CHRM1 CHRM3 1/4885SLC18A3 1960/4885CHRM2 2/4885
US-20120277275-A1 AZOLE AND THIAZOLE DERIVATIVES AND THEIR USE CHRM3, GPR65, GPR34 CHRM3 1/4885SLC18A3 1467/4885CHRM2 12/4885

“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.