SCHEMBL1787459

SCHEMBL1787459

CCC(=O)NC1CCc2cc(C#N)ccc21

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 5/20 0.56
CYP11B1 P15538 3/20 0.56
CA12 O43570 3/20 0.47
CA7 P43166 3/20 0.47
CA14 Q9ULX7 3/20 0.47
MTNR1A P48039 2/20 0.45
MTNR1B P49286 2/20 0.45
DHODH Q02127 1/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
CA9 Q16790 2/20 0.43
HTR1A P08908 1/20 0.42
HTR2A P28223 1/20 0.42
KCNH2 Q12809 1/20 0.42
CYP1A2 P05177 1/20 0.42
MAPT P10636 1/20 0.42
CYP2C9 P11712 1/20 0.42

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
SCHEMBL30471759 0.81 CA12 (0.53) CYP11B2CYP11B1CA12CA7CA14
SCHEMBL1787681 0.80 CA12 (0.49) CYP11B2CYP11B1CA12CA7CA14
SCHEMBL1314554 0.80 LMNA (0.44) CA12CA7CA14ALDH1A1LMNA
SCHEMBL31130047 0.79 DRD2 (0.52) CYP11B2CYP11B1CA12CA7CA14
SCHEMBL21178333 0.79 DRD2 (0.52) CYP11B2CYP11B1CA12CA7CA14
SCHEMBL5267967 0.79 DRD2 (0.52) CYP11B2CYP11B1CA12CA7CA14
SCHEMBL4049287 0.79 DRD2 (0.52) CYP11B2CYP11B1CA12CA7CA14
SCHEMBL24120 0.79 CA12 (0.48) CYP11B2CYP11B1CA12CA7CA14
SCHEMBL32008 0.78 CA12 (0.47) CYP11B2CYP11B1CA12CA7CA14
SCHEMBL24995730 0.78 PDPK1 (0.53) LRRK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2186804-B1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND PEST CONTROL AGENT NIPPON SODA CO (JP) 2015-06-17 EP disclosed
US-8288393-B2 Nitrogen-containing heterocyclic compound and pest control agent NIPPON SODA CO., LTD. (JP) 2012-10-16 US disclosed
US-20110124858-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND PEST CONTROL AGENT NIPPON SODA CO., LTD. (JP) 2011-05-26 US disclosed
EP-2186804-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND PEST CONTROL AGENT Nippon Soda Co., Ltd. (JP) 2010-05-19 EP 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-20110124858-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND PEST CONTROL AGENT NOS1, NOS2, NOX1 CYP11B2 276/4885CYP11B1 279/4885CA12 1557/4885

“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.