SCHEMBL2395914

SCHEMBL2395914

c1ccc2c(c1)CC(C1CO1)O2

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 2/20 0.50
CHRM4 P08173 2/20 0.50
CHRM5 P08912 2/20 0.50
CHRM1 P11229 2/20 0.50
CHRM3 P20309 2/20 0.50
NISCH Q9Y2I1 3/20 0.41
MAOA P21397 6/20 0.39
MAOB P27338 6/20 0.39
AOC2 O75106 5/20 0.39
DAO P14920 1/20 0.39
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39
HRH3 Q9Y5N1 1/20 0.36

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
SCHEMBL7222682 0.80 CA2 (0.42) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL28252353 0.80 CHRM2 (0.47) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL3971528 0.80 CA2 (0.42) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL5722725 0.80 CA2 (0.42) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL4828488 0.80 CA2 (0.42) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL17891950 0.79 CHRM2 (0.58) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL4704700 0.76 MAOA (0.38) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL1552025 0.76 CHRM2 (0.41) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL36938 0.75 CHRM2 (0.46) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL7424079 0.75 CHRM2 (0.54) CHRM2CHRM4CHRM5CHRM1CHRM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2644591-A1 Optically active 2-aryl cyclopropane carboxamide intermediates Astrazeneca AB (SE) 2013-10-02 EP disclosed
US-8278475-B2 Processes for the preparation of optically active intermediates ASTRAZENECA AB (SE) 2012-10-02 US disclosed
US-20120136167-A1 Processes For The Preparation Of Optically Active Intermediates ASTRAZENECA AB (SE) 2012-05-31 US disclosed
US-8026396-B2 Processes for the preparation of optically active intermediates ASTRAZENECA AB (SE) 2011-09-27 US disclosed
US-20100331575-A1 Processes For The Preparation Of Optically Active Intermediates ASTRAZENECA AB (SE) 2010-12-30 US disclosed
US-7790927-B2 Using hypochlorite in water in presence of alkali metal hydroxide ASTRAZENECA AB (SE) 2010-09-07 US disclosed
EP-2049463-A1 A PROCESS FOR THE PREPARATION OF OPTICALLY ACTIVE CYCLOPROPYLAMINES Astra Zeneca AB (SE) 2009-04-22 EP disclosed
US-20080071114-A1 Processes For The Preparation Of Optically Active Intermediates ASTRAZENECA AB (SE) 2008-03-20 US disclosed
WO-2008018823-A1 A PROCESS FOR THE PREPARATION OF OPTICALLY ACTIVE CYCLOPROPYLAMINES ASTRAZENECA AB (SE) 2008-02-14 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 (3 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-20080071114-A1 Processes For The Preparation Of Optically Active Intermediates DHPS, CYP1B1, CYP2S1 CHRM2 1964/4885CHRM4 1546/4885CHRM5 1237/4885
US-20100331575-A1 Processes For The Preparation Of Optically Active Intermediates DHPS, CYP1B1, CYP2S1 CHRM2 1964/4885CHRM4 1546/4885CHRM5 1237/4885
US-20120136167-A1 Processes For The Preparation Of Optically Active Intermediates DHPS, CYP2S1, CYP1B1 CHRM2 1902/4885CHRM4 1516/4885CHRM5 1287/4885

“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.