SCHEMBL955656

SCHEMBL955656

NC1CCN(c2ccc(F)nc2)C1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNC P24863 1/20 0.47
CDK8 P49336 1/20 0.47
DPP4 P27487 1/20 0.47
DPP8 Q6V1X1 1/20 0.47
DPP9 Q86TI2 1/20 0.47
DPP7 Q9UHL4 1/20 0.47
KHK P50053 1/20 0.44
CHRNB2 P17787 4/20 0.42
CHRNA4 P43681 4/20 0.42
HRH4 Q9H3N8 3/20 0.42
MCHR1 Q99705 1/20 0.40
NAMPT P43490 1/20 0.39
CHRNB4 P30926 3/20 0.38
CHRNA3 P32297 3/20 0.38
PIM1 P11309 2/20 0.38
CDK1 P06493 2/20 0.38
CDK4 P11802 2/20 0.38
CCNB1 P14635 2/20 0.38
CCND1 P24385 2/20 0.38
CCNE1 P24864 2/20 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
SCHEMBL955655 1.00 CCNC (0.47) CCNCCDK8DPP4DPP8DPP9
Hydrochloric Acid SCHEMBL951787 0.98 CCNC (0.46) CCNCCDK8DPP4DPP8DPP9
Hydrochloric Acid SCHEMBL951995 0.98 CCNC (0.46) CCNCCDK8DPP4DPP8DPP9
SCHEMBL24746030 0.81 KHK (0.48) CCNCCDK8KHKCHRNB2CHRNA4
SCHEMBL21698694 0.81 CCNC (0.45) CCNCCDK8KHKCHRNB2CHRNA4
SCHEMBL2687453 0.81 KHK (0.48) CCNCCDK8KHKCHRNB2CHRNA4
SCHEMBL14318799 0.81 KHK (0.48) CCNCCDK8KHKCHRNB2CHRNA4
SCHEMBL1506494 0.80 CHRNB2 (0.58) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL18291433 0.80 MCHR1 (0.42) CCNCCDK8KHKCHRNB2CHRNA4
SCHEMBL13569786 0.80 DPP4 (0.44) DPP4DPP8DPP9DPP7CHRNB2

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
US-7868014-B2 1-(hetero)aryl-3-amino-pyrrolidine derivatives for use as mGluR3 antagonists ELI LILLY AND COMPANY (US) 2011-01-11 US disclosed
EP-1805165-B1 1-(HETERO)ARYL-3-AMINO-PYRROLIDINE DERIVATIVES FOR USE AS MGLUR3 RECEPTOR ANTAGONISTS LILLY CO ELI (US) 2009-12-16 EP disclosed
US-20080300266-A1 1-(Hetero)Aryl-3-Amino-Pyrrolidine Derivatives for Use as Mglur3 Antagonists ELI LILLY AND COMPANY (US) 2008-12-04 US disclosed
EP-1805165-A1 1-(HETERO)ARYL-3-AMINO-PYROLLIDINE DERIVATIVES FOR USE AS MGLUR3 RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2007-07-11 EP disclosed
WO-2006044454-A1 1-(HETERO)ARYL-3-AMINO-PYROLLIDINE DERIVATIVES FOR USE AS MGLUR3 RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2006-04-27 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-20080300266-A1 1-(Hetero)Aryl-3-Amino-Pyrrolidine Derivatives for Use as Mglur3 Antagonists GRM3, GRM1, GRIA3 CCNC 2037/4885CDK8 2704/4885DPP4 2252/4885

“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.