SCHEMBL1479671

SCHEMBL1479671

CCCCCC(CC(=O)OCC)C(Cl)Cl

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ZDHHC7 Q9NXF8 1/20 0.39
MGAM O43451 1/20 0.38
GAA P10253 1/20 0.38
SI P14410 1/20 0.38
MGAM2 Q2M2H8 1/20 0.38
GPR84 Q9NQS5 7/20 0.37
CA2 P00918 1/20 0.37
FAAH O00519 1/20 0.36
TRPA1 O75762 1/20 0.35
ALDH1A1 P00352 1/20 0.35
NAAA Q02083 1/20 0.35
DGKA P23743 1/20 0.35
FFAR1 O14842 1/20 0.35
CA1 P00915 1/20 0.35
CYP1A2 P05177 1/20 0.35
TLR4 O00206 1/20 0.35

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
SCHEMBL28630516 0.82 ZDHHC7 (0.41) ZDHHC7MGAMGAASIMGAM2
SCHEMBL14730774 0.81 ZDHHC7 (0.41) ZDHHC7GPR84NAAADGKAFFAR1
SCHEMBL28623845 0.81 ZDHHC7 (0.43) ZDHHC7MGAMGAASIMGAM2
SCHEMBL28637271 0.81 ZDHHC7 (0.43) ZDHHC7MGAMGAASIMGAM2
SCHEMBL11763226 0.80 GPR84 (0.44) ZDHHC7GPR84FFAR1TLR4
Hexane SCHEMBL1234791 0.80 MGAM (0.44) MGAMGAASIMGAM2TRPA1
SCHEMBL21826261 0.78 TLR4 (0.50) ZDHHC7MGAMGAASIMGAM2
Heptane SCHEMBL1591794 0.78 NAAA (0.44) MGAMGAASIMGAM2TRPA1
SCHEMBL4625810 0.78 GPR84 (0.41) GPR84CA2FFAR1CA1
SCHEMBL28286148 0.77 ZDHHC7 (0.37) ZDHHC7MGAMGAASIMGAM2

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 ZDHHC7 728/4885MGAM 4829/4885GAA 4833/4885

“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.