SCHEMBL2265010

SCHEMBL2265010

C=CCCCCC1CCCCC1C#N

nearest known ligand 0.41

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.33
CHRNA7 P36544 1/20 0.33
CHRNA4 P43681 1/20 0.33

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
SCHEMBL28886067 0.77 CYP1A2 (0.38) CHRNB2CHRNA7CHRNA4
SCHEMBL2263612 0.76 MEN1 (0.34) CHRNB2CHRNA7CHRNA4
SCHEMBL2263208 0.73 EPHX1 (0.34) CHRNB2CHRNA7CHRNA4
SCHEMBL2260665 0.70 CA1 (0.48)
SCHEMBL7539963 0.69 CHRNB2 (0.33) CHRNB2CHRNA7CHRNA4
SCHEMBL2261893 0.69 CA1 (0.32)
SCHEMBL24404223 0.68
SCHEMBL30143782 0.68 TSHR (0.59) CHRNB2CHRNA7CHRNA4
SCHEMBL29222354 0.67 SIGMAR1 (0.50) CHRNB2CHRNA7CHRNA4
SCHEMBL23121455 0.67 SIGMAR1 (0.50) CHRNB2CHRNA7CHRNA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100247467-A1 ALPHA-SUBSTITUTED CYCLOPENTANECARBONITRILES OR CYCLOHEXANECARBONITRILES AND THEIR USE IN PERFUMERY FIRMENICH SA (CH) 2010-09-30 US claimed
CN-101848889-A Alpha-substituted cyclopentanecarbonitriles or cyclohexanecarbonitriles and their use in perfumery FIRMENICH & CIE 2010-09-29 CN claimed
EP-2217563-A2 ALPHA-SUBSTITUTED CYCLOPENTANECARBONITRILES OR CYCLOHEXANECARBONITRILES AND THEIR USE IN PERFUMERY Firmenich S.A. (CH) 2010-08-18 EP claimed
WO-2009060378-A2 ALPHA-SUBSTITUTED CYCLOPENTANECARBONITRILES OR CYCLOHEXANECARBONITRILES AND THEIR USE IN PERFUMERY FIRMENICH SA (CH) 2009-05-14 WO claimed
CN-101848889-B Alpha-substituted cyclopentanecarbonitriles or cyclohexanecarbonitriles and their use in perfumery FIRMENICH & CIE 2013-07-17 CN disclosed
EP-2217563-B1 Alpha-substituted cyclopentanecarbonitriles or cyclohexanecarbonitriles and their use in perfumery FIRMENICH & CIE (CH) 2013-01-30 EP disclosed
US-8003084-B2 α-substituted cyclopentanecarbonitriles or cyclohexanecarbonitriles and their use in perfumery FIRMENICH SA (CH) 2011-08-23 US disclosed
US-20100247467-A1 ALPHA-SUBSTITUTED CYCLOPENTANECARBONITRILES OR CYCLOHEXANECARBONITRILES AND THEIR USE IN PERFUMERY FIRMENICH SA (CH) 2010-09-30 US disclosed
CN-101848889-A Alpha-substituted cyclopentanecarbonitriles or cyclohexanecarbonitriles and their use in perfumery FIRMENICH & CIE 2010-09-29 CN disclosed
EP-2217563-A2 ALPHA-SUBSTITUTED CYCLOPENTANECARBONITRILES OR CYCLOHEXANECARBONITRILES AND THEIR USE IN PERFUMERY Firmenich S.A. (CH) 2010-08-18 EP disclosed
WO-2009060378-A2 ALPHA-SUBSTITUTED CYCLOPENTANECARBONITRILES OR CYCLOHEXANECARBONITRILES AND THEIR USE IN PERFUMERY FIRMENICH SA (CH) 2009-05-14 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-20100247467-A1 ALPHA-SUBSTITUTED CYCLOPENTANECARBONITRILES OR CYCLOHEXANECARBONITRILES AND THEIR USE IN PERFUMERY PNN, FASN, CYP8B1 CHRNB2 657/4885CHRNA7 687/4885CHRNA4 682/4885

“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.