SCHEMBL4743382

SCHEMBL4743382

CC(c1ccccc1)(c1ccccc1)c1ncc(C[N+](C)(C)CCCOc2ccccc2)o1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 3/20 0.43
ADRA2A P08913 3/20 0.43
CHRM1 P11229 3/20 0.43
ADRA2B P18089 3/20 0.43
ADRA2C P18825 3/20 0.43
CHRM3 P20309 3/20 0.43
SLC6A2 P23975 3/20 0.43
HTR2A P28223 3/20 0.43
HTR2C P28335 3/20 0.43
SLC6A4 P31645 3/20 0.43
SLC6A3 Q01959 3/20 0.43
KCNH2 Q12809 3/20 0.43
MLNR O43193 2/20 0.43
NR1I2 O75469 2/20 0.43
ESR1 P03372 2/20 0.43
NR3C1 P04150 2/20 0.43
PGR P06401 2/20 0.43
ADRB2 P07550 2/20 0.43
ADRB1 P08588 2/20 0.43
HTR1A P08908 2/20 0.43

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
SCHEMBL1109894 0.87 CHRM3 (0.42) CHRM2ADRA2ACHRM1ADRA2BADRA2C
SCHEMBL12855723 0.86 CHRM2 (0.41) CHRM2ADRA2ACHRM1ADRA2BADRA2C
Bromide SCHEMBL1109815 0.85 SMN1; SMN2 (0.43) CHRM2ADRA2ACHRM1ADRA2BADRA2C
Formic Acid SCHEMBL1110591 0.83 CHRM2 (0.39) CHRM2ADRA2ACHRM1ADRA2BADRA2C
Formic Acid SCHEMBL1110587 0.82 CHRM2 (0.38) CHRM2ADRA2ACHRM1ADRA2BADRA2C
SCHEMBL13329512 0.81 KCNH2 (0.39) CHRM2ADRA2ACHRM1ADRA2BADRA2C
SCHEMBL1109843 0.81 KCNH2 (0.39) CHRM2ADRA2ACHRM1ADRA2BADRA2C
SCHEMBL13329509 0.81 KCNH2 (0.39) CHRM2ADRA2ACHRM1ADRA2BADRA2C
SCHEMBL524278 0.80 KCNH2 (0.39) CHRM2ADRA2ACHRM1ADRA2BADRA2C
SCHEMBL4743389 0.80 KCNH2 (0.39) CHRM2ADRA2ACHRM1ADRA2BADRA2C

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
WO-2008096093-A1 OXAZOLE AND THIAZOLE DERIVATIVES AND THEIR USES ARGENTA DISCOVERY LTD. (GB) 2008-08-14 WO disclosed
WO-2008096093-A1 OXAZOLE AND THIAZOLE DERIVATIVES AND THEIR USES ARGENTA DISCOVERY LTD. (GB) 2008-08-14 WO 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-20120277275-A1 AZOLE AND THIAZOLE DERIVATIVES AND THEIR USE CHRM3, GPR65, GPR34 CHRM2 12/4885ADRA2A 285/4885CHRM1 24/4885

“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.