SCHEMBL2064933

SCHEMBL2064933

CCOC(=O)c1cncc(N2CC3CN(C(=O)OC(C)(C)C)CC3C2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.45
DPP8 Q6V1X1 1/20 0.45
DPP9 Q86TI2 1/20 0.45
DPP7 Q9UHL4 1/20 0.45
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
GPR119 Q8TDV5 4/20 0.41
TP53 P04637 1/20 0.41
POLB P06746 1/20 0.41
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
GAA P10253 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
NR1H2 P55055 1/20 0.40
ATM Q13315 1/20 0.38
CHRNB2 P17787 1/20 0.38
CHRNA4 P43681 1/20 0.38

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
SCHEMBL2064934 1.00 DPP4 (0.45) DPP4DPP8DPP9DPP7CYP2C9
SCHEMBL11355614 0.86 DPP4 (0.47) DPP4DPP8DPP9DPP7CYP2C9
SCHEMBL2064193 0.85 GPR119 (0.45) GPR119NR1H2
SCHEMBL1841301 0.85 GPR119 (0.45) GPR119NR1H2
SCHEMBL1843239 0.85 CYP2C9 (0.52) DPP4DPP8DPP9DPP7CYP2C9
SCHEMBL651095 0.83 CHRNB2 (0.58) GPR119NR1H2CHRNB2CHRNA4
SCHEMBL651096 0.83 CHRNB2 (0.58) GPR119NR1H2CHRNB2CHRNA4
SCHEMBL1011608 0.81 ACACB (0.46) GPR119MEN1ALDH1A1LMNAGAA
SCHEMBL18765421 0.81 CYP2C9 (0.47) CYP2C9CYP2C19GPR119TP53POLB
SCHEMBL653669 0.81 GPR119 (0.46) GPR119NR1H2

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 5 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
US-20090281118-A1 Selective Ligands for the Neuronal Nicotinic Receptors and Uses Thereof ABBOTT LABORATORIES (US) 2009-11-12 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 (2 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 DPP4 3686/4885DPP8 4314/4885DPP9 3991/4885
US-20090281118-A1 Selective Ligands for the Neuronal Nicotinic Receptors and Uses Thereof CHRNA4, CHRNB4, CHRNA2 DPP4 3188/4885DPP8 3980/4885DPP9 3670/4885

“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.