SCHEMBL1476613

SCHEMBL1476613

Cc1ccc(C#Cc2cncc(C#N)c2)c(C)c1

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 1/20 0.41
CYP11B1 P15538 2/20 0.40
CYP11B2 P19099 2/20 0.40
GRM5 P41594 2/20 0.39
CYP2A6 P11509 2/20 0.38
ALDH1A1 P00352 1/20 0.37
FFAR1 O14842 1/20 0.36

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
SCHEMBL1477545 0.88 GRM5 (0.49) RAF1GRM5CYP2A6ALDH1A1FFAR1
SCHEMBL1476932 0.83 RAF1 (0.49) RAF1CYP11B1CYP11B2GRM5CYP2A6
SCHEMBL1476852 0.82 GRM5 (0.58) RAF1CYP11B1CYP11B2GRM5CYP2A6
SCHEMBL29306074 0.78 ALDH1A1 (0.48) CYP11B1CYP11B2CYP2A6ALDH1A1FFAR1
SCHEMBL1476865 0.78 GRM5 (0.65) RAF1GRM5
SCHEMBL1477361 0.76 GRM5 (0.42) RAF1GRM5
SCHEMBL1006186 0.76 KDM4E (0.35) GRM5ALDH1A1FFAR1
SCHEMBL1476655 0.76 RAF1 (0.44) RAF1CYP11B1CYP11B2GRM5CYP2A6
SCHEMBL1477628 0.74 CYP11B2 (0.42) RAF1CYP11B1CYP11B2GRM5CYP2A6
SCHEMBL20290908 0.74 GRM5 (0.45) GRM5CYP2A6ALDH1A1FFAR1

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-7915424-B2 Analgesics; anxiolytic agents ELI LILLY AND COMPANY (US) 2011-03-29 US disclosed
EP-1729771-B1 PYRIDYL DERIVATIVES AND THEIR USE AS MGLU5 RECEPTOR ANTAGONISTS LILLY CO ELI (US) 2009-10-14 EP disclosed
US-20080194647-A1 Pyridyl Derivatives and Their Use as Mglu5 Antagonists ELI LILLY AND COMPANY (US) 2008-08-14 US disclosed
EP-1729771-A1 PYRIDYL DERIVATIVES AND THEIR USE AS MGLU5 RECEPTOR ANTAGONISTS Eli Lilly & Company (US) 2006-12-13 EP disclosed
WO-2005094822-A1 PYRIDYL DERIVATIVES AND THEIR USE AS MGLU5 RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2005-10-13 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-20080194647-A1 Pyridyl Derivatives and Their Use as Mglu5 Antagonists HRH4, CNR2, CNR1 RAF1 4597/4885CYP11B1 1606/4885CYP11B2 1328/4885

“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.