SCHEMBL12312759

SCHEMBL12312759

C[C@@H](O)CNCC(=O)N1CCc2ccc(F)cc2C1c1ccccc1

nearest known ligand 0.78

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ CYP2D6 P10635 15/20 0.78
▸ HHAT Q5VTY9 4/20 0.67
▸ CHRM3 P20309 1/20 0.47

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
SCHEMBL12312758 0.92 CYP2D6 (0.78) CYP2D6HHATCHRM3
SCHEMBL12312968 0.92 CYP2D6 (0.78) CYP2D6HHATCHRM3
SCHEMBL12312969 0.92 CYP2D6 (0.78) CYP2D6HHATCHRM3
SCHEMBL12312752 0.89 CYP2D6 (0.79) CYP2D6HHAT
SCHEMBL12312191 0.88 CYP2D6 (0.84) CYP2D6HHATCHRM3
SCHEMBL2795004 0.88 CYP2D6 (1.00) CYP2D6HHAT
SCHEMBL12312469 0.88 CYP2D6 (0.64) CYP2D6HHAT
SCHEMBL12312327 0.87 CYP2D6 (0.80) CYP2D6HHATCHRM3
SCHEMBL13507980 0.87 CYP2D6 (0.75) CYP2D6HHAT
SCHEMBL12312693 0.87 CYP2D6 (0.75) CYP2D6HHAT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2149560-B1 1-SUBSTITUTED TETRAHYDROISOQUINOLINE COMPOUND ASTELLAS PHARMA INC (JP) 2015-05-13 — — EP disclosed
US-8263607-B2 1-substituted tetrahydroisoquinoline compound ASTELLAS PHARMA INC. (JP) 2012-09-11 — — US disclosed
US-8263607-B2 1-substituted tetrahydroisoquinoline compound ASTELLAS PHARMA INC. (JP) 2012-09-11 — — US disclosed
US-20100168154-A1 1-SUBSTITUTED TETRAHYDROISOQUINOLINE COMPOUND ASTELLAS PHARMA INC. (JP) 2010-07-01 — — US disclosed
US-20100168154-A1 1-SUBSTITUTED TETRAHYDROISOQUINOLINE COMPOUND ASTELLAS PHARMA INC. (JP) 2010-07-01 — — US disclosed
EP-2149560-A1 1-SUBSTITUTED TETRAHYDROISOQUINOLINE COMPOUND Astellas Pharma Inc. (JP) 2010-02-03 — — EP 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-20100168154-A1 1-SUBSTITUTED TETRAHYDROISOQUINOLINE COMPOUND CACNA1S, CACNA1E, CACNA1B CYP2D6 834/4885HHAT 2957/4885CHRM3 344/4885

“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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