SCHEMBL13329581

SCHEMBL13329581

Cc1ccc(COCC[N+](C)(C)Cc2cnc([C@](O)(c3ccccc3)C3CCCCC3)o2)cc1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 4/20 0.38
CHRM3 P20309 9/20 0.36
KCNH2 Q12809 3/20 0.36
CHRM2 P08172 7/20 0.35
CHRM1 P11229 7/20 0.35
SLC6A3 Q01959 1/20 0.35
LMNA P02545 1/20 0.35
CYP2D6 P10635 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
KMT2A Q03164 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CYP19A1 P11511 1/20 0.32
CHRM4 P08173 4/20 0.32
CHRM5 P08912 4/20 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
SCHEMBL13329593 1.00 HRH1 (0.38) HRH1CHRM3KCNH2CHRM2CHRM1
SCHEMBL4742969 1.00 HRH1 (0.38) HRH1CHRM3KCNH2CHRM2CHRM1
SCHEMBL4783525 0.99 HRH1 (0.39) HRH1CHRM3KCNH2CHRM2CHRM1
SCHEMBL4742510 0.97 HRH1 (0.39) HRH1CHRM3KCNH2CHRM2CHRM1
SCHEMBL1109886 0.95 HRH1 (0.35) HRH1CHRM3KCNH2CHRM2CHRM1
SCHEMBL1109891 0.95 CHRM2 (0.37) HRH1CHRM3KCNH2CHRM2CHRM1
SCHEMBL1109893 0.95 CHRM2 (0.37) HRH1CHRM3KCNH2CHRM2CHRM1
SCHEMBL1109884 0.94 HRH1 (0.35) HRH1CHRM3KCNH2CHRM2CHRM1
Bromide SCHEMBL2877676 0.94 CHRM2 (0.36) HRH1CHRM3KCNH2CHRM2CHRM1
Bromide SCHEMBL2877682 0.94 CHRM2 (0.36) HRH1CHRM3KCNH2CHRM2CHRM1

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-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 HRH1 178/4885CHRM3 1/4885KCNH2 784/4885
US-20120277275-A1 AZOLE AND THIAZOLE DERIVATIVES AND THEIR USE CHRM3, GPR65, GPR34 HRH1 183/4885CHRM3 1/4885KCNH2 1470/4885

“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.