SCHEMBL6504776

SCHEMBL6504776

O=CC1Cc2c(Cl)ccc(O)c2CN1C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 1/20 0.30
▸ OPRM1 P35372 1/20 0.30
▸ OPRL1 P41146 1/20 0.30
▸ KCNH2 Q12809 1/20 0.30
▸ DYRK1A Q13627 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
SCHEMBL6477421 0.75 DRD3 (0.40) CA2
SCHEMBL6469357 0.69 HSD11B1 (0.37) —
SCHEMBL2731236 0.68 POLB (0.41) —
SCHEMBL17559354 0.66 ACE (0.46) —
SCHEMBL3898933 0.66 ACE (0.46) —
SCHEMBL5243620 0.66 ACE (0.46) —
SCHEMBL4359706 0.65 CYP1A2 (0.48) —
SCHEMBL29098332 0.65 ABHD6 (0.39) —
SCHEMBL14061412 0.63 RBP4 (0.35) —
SCHEMBL15511186 0.59 ACE (0.42) CA2

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-20050153998-A1 Tetrahydroisoquinoline or isochroman compounds ITO FUMITAKA (JP) 2005-07-14 — — 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-20050153998-A1 Tetrahydroisoquinoline or isochroman compounds OPRL1, NR1H3, HRH3 CA2 1765/4885OPRM1 8/4885OPRL1 1/4885

“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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