SCHEMBL3606501

SCHEMBL3606501

CCCN(C)Cc1ccc2c(c1)C(C(=O)Nc1cc(C)c(O)c(C)c1C)N(C(=O)C(C)C)CC2

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
XIAP P98170 9/20 0.36
GHSR Q92847 5/20 0.33
CYP2D6 P10635 1/20 0.33
S1PR1 P21453 1/20 0.32
SOAT2 O75908 1/20 0.31
ACAT1 P24752 1/20 0.31
SOAT1 P35610 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
SCHEMBL3609708 0.90 XIAP (0.38) XIAPGHSR
SCHEMBL3603775 0.89 GHSR (0.33) XIAPGHSRCYP2D6S1PR1SOAT2
SCHEMBL3616206 0.84 XIAP (0.37) XIAP
Hydrochloric Acid SCHEMBL3612487 0.83 XIAP (0.37) XIAP
SCHEMBL3610348 0.82 GHSR (0.33) XIAPGHSR
SCHEMBL3601495 0.81 XIAP (0.45) XIAP
Hydrochloric Acid SCHEMBL3605870 0.80 GHSR (0.35) GHSRCYP2D6SOAT2ACAT1SOAT1
SCHEMBL3618049 0.80 XIAP (0.37) XIAP
SCHEMBL3613400 0.80 CYP2D6 (0.31) XIAPGHSRCYP2D6
Hydrochloric Acid SCHEMBL3608122 0.79 GHSR (0.32) XIAPGHSRCYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100022582-A1 Tetrahydroisoquinoline Compound and Medicinal Use Thereof KYOTO PHARMACEUTICAL INDUSTRIES, LTD. (JP) 2010-01-28 US claimed
EP-1857444-A1 TETRAHYDROISOQUINOLINE COMPOUND AND MEDICINAL USE THEREOF Kyoto Pharmaceutical Industries, Ltd. (JP) 2007-11-21 EP claimed
US-20100022582-A1 Tetrahydroisoquinoline Compound and Medicinal Use Thereof KYOTO PHARMACEUTICAL INDUSTRIES, LTD. (JP) 2010-01-28 US disclosed
EP-1857444-A1 TETRAHYDROISOQUINOLINE COMPOUND AND MEDICINAL USE THEREOF Kyoto Pharmaceutical Industries, Ltd. (JP) 2007-11-21 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-20100022582-A1 Tetrahydroisoquinoline Compound and Medicinal Use Thereof ACAT1, ACAT2, LCAT XIAP 934/4885GHSR 4556/4885CYP2D6 615/4885

“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.