SCHEMBL1476052

SCHEMBL1476052

N#Cc1cc(C#Cc2ccccc2)c[n+]([O-])c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.46
APP P05067 1/20 0.44
MAPT P10636 2/20 0.41
CA12 O43570 3/20 0.39
CA2 P00918 3/20 0.39
CA9 Q16790 3/20 0.39
CA1 P00915 2/20 0.39
FFAR1 O14842 1/20 0.39
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
NPC1 O15118 1/20 0.37
ALDH1A1 P00352 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
HPGD P15428 1/20 0.37
CYP2C19 P33261 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 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
SCHEMBL10656211 0.76 TSHR (0.59) TSHRAPPMAPTFFAR1ALDH1A1
SCHEMBL1352731 0.73 TSHR (0.78) TSHRAPPMAPTCA12CA2
SCHEMBL13628830 0.70 APP (0.55) APPMAPTCA12CA2CA9
SCHEMBL29530610 0.70
SCHEMBL1338520 0.70
SCHEMBL2450399 0.70 APP (0.80) TSHRAPPMAPTCA12CA2
SCHEMBL15291269 0.69 TSHR (0.50) TSHRAPPMAPTNPC1ALDH1A1
SCHEMBL2758337 0.69 TSHR (0.50) TSHRAPPGRM5
SCHEMBL1477360 0.69 GRM5 (0.55) TSHRAPPMAPTGRM5CHRNB2
SCHEMBL15694392 0.69 TSHR (0.50) TSHRAPPMAPTFFAR1GRM5

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 3 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

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 TSHR 403/4885APP 4556/4885MAPT 3882/4885

“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.