SCHEMBL641124

SCHEMBL641124

CC(=O)N1CCCCCC1C(N)=O

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 13/20 0.44
CHRM4 P08173 13/20 0.44
CHRM5 P08912 13/20 0.44
CHRM1 P11229 13/20 0.44
CHRM3 P20309 13/20 0.44
F2 P00734 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39

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
SCHEMBL17327535 0.98 CHRM2 (0.42) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL642472 0.98 CHRM2 (0.42) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL606217 0.92 F2 (0.44) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL642427 0.92 F2 (0.44) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL608859 0.92 F2 (0.44) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL4721124 0.84 SMN1; SMN2 (0.36) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL11882083 0.82 CA12 (0.40) CA12CA1CA2CA9
SCHEMBL7908918 0.82 ACE (0.47) F2
SCHEMBL12436085 0.82 CHRM2 (0.45) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL6447711 0.82 CA12 (0.42) CA12CA1CA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8119673-B2 Compounds 148 ASTRAZENECA AB (SE) 2012-02-21 US disclosed
CN-102131802-A Heterocyclic carboxamides useful as thrombin inhibitors ASTRAZENECA AB 2011-07-20 CN disclosed
US-20110130432-A1 Heterocyclic Carboxamides For Use As Thrombin Inhibitors ASTRAZENECA AB (SE) 2011-06-02 US disclosed
EP-2321301-A1 NEW HETEROCYCLIC CARBOXAMIDES FOR USE AS THROMBIN INHIBITORS AstraZeneca AB (SE) 2011-05-18 EP disclosed
WO-2009157860-A1 NEW HETEROCYCLIC CARBOXAMIDES FOR USE AS THROMBIN INHIBITORS ASTRAZENECA AB (SE) 2009-12-30 WO disclosed
US-20090318517-A1 Novel Compounds 148 ASTRAZENECA AB (SE) 2009-12-24 US disclosed
US-20090012087-A1 New Aza-Bicyclohexane Compounds Useful As Inhibitors Of Thrombin ASTRAZENECA AB (SE) 2009-01-08 US disclosed
WO-2009004383-A2 AZA-BICYCLOHEXANE COMPOUNDS USEFUL AS ANTICOAGULANTS ASTRAZENECA AB (SE) 2009-01-08 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-20110130432-A1 Heterocyclic Carboxamides For Use As Thrombin Inhibitors TFPI, TFPI2, SPINT2 CHRM2 4148/4885CHRM4 4669/4885CHRM5 4141/4885
US-20090318517-A1 Novel Compounds 148 SERPINB1, SPINT2, TFPI CHRM2 4183/4885CHRM4 4639/4885CHRM5 4419/4885
US-20090012087-A1 New Aza-Bicyclohexane Compounds Useful As Inhibitors Of Thrombin TFPI, TFPI2, ADAMTS1 CHRM2 4342/4885CHRM4 4843/4885CHRM5 4656/4885

“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.