SCHEMBL13078618

SCHEMBL13078618

Cn1c(=O)oc2ccc(CN3CCC(CC#N)(C(=O)N4CCc5ncc(CF)cc5C4)C3)cc21

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ KCNJ1 P48048 4/20 0.32
▸ PLG P00747 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30
▸ CTSC P53634 1/20 0.30

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
SCHEMBL1120129 0.91 CCR2 (0.38) —
SCHEMBL13074817 0.83 CCR2 (0.34) SMN1; SMN2
SCHEMBL1119752 0.83 CYP3A4 (0.35) KCNJ1PLGALDH1A1SMN1; SMN2CTSC
SCHEMBL1119970 0.82 CCR2 (0.40) —
SCHEMBL15353817 0.81 KCNJ1 (0.32) KCNJ1ALDH1A1SMN1; SMN2
SCHEMBL15353819 0.81 KCNJ1 (0.32) KCNJ1ALDH1A1SMN1; SMN2
SCHEMBL15353818 0.81 KCNJ1 (0.32) KCNJ1ALDH1A1SMN1; SMN2
SCHEMBL13011667 0.80 CCR2 (0.39) —
SCHEMBL1120068 0.80 CCR2 (0.39) —
SCHEMBL1119842 0.80 CCR2 (0.40) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100286136-A1 DIHYDRONAPHTHYRIDINYL AND RELATED COMPOUNDS FOR USE IN TREATING OPHTHALMOLOGICAL DISORDERS JONES SIMON 2010-11-11 — — 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-20100286136-A1 DIHYDRONAPHTHYRIDINYL AND RELATED COMPOUNDS FOR USE IN TREATING OPHTHALMOLOGICAL DISORDERS ALDH1A2, QDPR, PDE6C KCNJ1 1378/4885PLG 3141/4885ALDH1A1 1153/4885

“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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