SCHEMBL2064797

SCHEMBL2064797

C=C(OCC)c1cncc(N2CC3CN(C(=O)O)CC3C2)c1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.40
CHRNA4 P43681 2/20 0.40
DPP4 P27487 1/20 0.39
DPP8 Q6V1X1 1/20 0.39
DPP9 Q86TI2 1/20 0.39
DPP7 Q9UHL4 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
CHRNB4 P30926 3/20 0.37
CHRNA3 P32297 3/20 0.37
HSD17B10 Q99714 1/20 0.37

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
SCHEMBL1843239 0.88 CYP2C9 (0.52) CHRNB2CHRNA4DPP4DPP8DPP9
SCHEMBL2064933 0.75 DPP4 (0.45) CHRNB2CHRNA4DPP4DPP8DPP9
SCHEMBL2064934 0.75 DPP4 (0.45) CHRNB2CHRNA4DPP4DPP8DPP9
SCHEMBL7683287 0.74 CHRNB2 (0.52) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL11028141 0.72 CHRNB2 (0.56) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL2064193 0.70 GPR119 (0.45)
SCHEMBL1841301 0.70 GPR119 (0.45)
SCHEMBL3538355 0.69 CYP2C9 (0.51) CHRNB2CHRNA4DPP4DPP8DPP9
SCHEMBL3538352 0.69 CYP2C9 (0.51) CHRNB2CHRNA4DPP4DPP8DPP9
SCHEMBL20188020 0.68 CYP2C19 (0.60) CHRNB2CHRNA4DPP4DPP8DPP9

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-2700639-A1 Selective ligands for the neuronal nicotinic receptors and uses thereof Abbvie Inc. (US) 2014-02-26 EP disclosed
US-8648084-B2 Selective substituted pyrazine ligands for neuronal nicotinic receptors ABBVIE INC. (US) 2014-02-11 US disclosed
US-20120190692-A1 SELECTIVE SUBSTITUTED PYRIDINE LIGANDS FOR NEURONAL NICOTINIC RECEPTORS ABBVIE INC. 2012-07-26 US disclosed
US-8148408-B2 Selective substituted pyridine ligands for neuronal nicotinic receptors ABBOTT LABORATORIES (US) 2012-04-03 US 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-20120190692-A1 SELECTIVE SUBSTITUTED PYRIDINE LIGANDS FOR NEURONAL NICOTINIC RECEPTORS CHRNA4, CHRNB4, CHRNA2 CHRNB2 4/4885CHRNA4 1/4885DPP4 3686/4885

“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.