SCHEMBL13723803

SCHEMBL13723803

CC(C)CC#Cc1coc(-c2cccc(N)n2)n1

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ IDH1 O75874 4/20 0.39
▸ GRM5 P41594 1/20 0.33
▸ ASIC3 Q9UHC3 1/20 0.33
▸ NOS3 P29474 1/20 0.33
▸ NOS1 P29475 1/20 0.33
▸ LARS1 Q9P2J5 1/20 0.31

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
SCHEMBL13749569 0.85 ASIC3 (0.36) IDH1GRM5ASIC3NOS3NOS1
SCHEMBL13723660 0.81 GRM5 (0.43) IDH1GRM5ASIC3NOS3NOS1
SCHEMBL10130898 0.77 GRM5 (0.48) IDH1GRM5NOS3NOS1
SCHEMBL13722749 0.74 IDH1 (0.41) IDH1GRM5ASIC3NOS3NOS1
SCHEMBL13615821 0.74 IDH1 (0.43) IDH1ASIC3NOS3NOS1LARS1
SCHEMBL12680095 0.72 IDH1 (0.43) IDH1ASIC3NOS3NOS1LARS1
SCHEMBL13723002 0.70 IDH1 (0.39) IDH1GRM5ASIC3NOS3NOS1
SCHEMBL12681404 0.70 NOS3 (0.48) IDH1ASIC3NOS3NOS1
SCHEMBL12681474 0.69 ASIC3 (0.41) IDH1ASIC3NOS3NOS1
SCHEMBL13622947 0.69 ASIC3 (0.41) IDH1ASIC3NOS3NOS1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090209547-A1 C-8 HALOGENATED MACROLIDES ENANTA PHARMACEUTICALS, INC. 2009-08-20 — — US disclosed
US-20090209547-A1 C-8 HALOGENATED MACROLIDES ENANTA PHARMACEUTICALS, INC. 2009-08-20 — — 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-20090209547-A1 C-8 HALOGENATED MACROLIDES CYP2C8, CCR8, CXCL8 IDH1 3129/4885GRM5 4412/4885ASIC3 1722/4885

“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.

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