SCHEMBL1476932

SCHEMBL1476932

Cc1ccccc1C#Cc1cncc(C#N)c1

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 1/20 0.49
TSHR P16473 1/20 0.48
GRM5 P41594 3/20 0.40
CYP2A6 P11509 1/20 0.39
FFAR1 O14842 3/20 0.38
CHRM2 P08172 1/20 0.38
S1PR1 P21453 1/20 0.38
FPR1 P21462 1/20 0.38
FPR3 P25089 1/20 0.38
GPR183 P32249 1/20 0.38
APLNR P35414 1/20 0.38
FFAR4 Q5NUL3 1/20 0.38
GPR65 Q8IYL9 1/20 0.38
CHRNB2 P17787 1/20 0.38
CHRNA4 P43681 1/20 0.38
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 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
SCHEMBL1476807 0.85 CYP11B1 (0.44) RAF1GRM5CHRNB2CHRNA4CYP11B1
SCHEMBL1477545 0.83 GRM5 (0.49) RAF1GRM5CYP2A6FFAR1
SCHEMBL1476613 0.83 RAF1 (0.41) RAF1GRM5CYP2A6FFAR1CYP11B1
SCHEMBL1476892 0.81 PTGDR2 (0.44) RAF1GRM5FFAR1CHRNB2CHRNA4
SCHEMBL1476631 0.81 CHRNB2 (0.55) GRM5CHRNB2CHRNA4CYP11B1CYP11B2
SCHEMBL1476752 0.80 HPGDS (0.47) GRM5FFAR1CHRNB2CHRNA4
SCHEMBL1477360 0.79 GRM5 (0.55) RAF1TSHRGRM5CHRNB2CHRNA4
SCHEMBL4454405 0.77 TSHR (0.48) TSHRGRM5FFAR1CHRM2S1PR1
SCHEMBL1476655 0.77 RAF1 (0.44) RAF1GRM5CYP2A6CYP11B1CYP11B2
SCHEMBL1476852 0.76 GRM5 (0.58) RAF1GRM5CYP2A6CHRNB2CYP11B1

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 4597/4885TSHR 403/4885GRM5 48/4885

“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.