SCHEMBL3612231

SCHEMBL3612231

Cc1cc(NC(=O)C2c3cc(CNCCF)ccc3CCN2C(=O)C(C)(C)C)c(C)c(C)c1O

nearest known ligand 0.31

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
F11 P03951 3/20 0.31
CYP2D6 P10635 1/20 0.31
XIAP P98170 2/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 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
Hydrochloric Acid SCHEMBL3613020 0.99 CYP2D6 (0.32) F11CYP2D6
SCHEMBL3616795 0.93 CYP2D6 (0.33) F11CYP2D6MEN1KMT2A
SCHEMBL3610348 0.87 GHSR (0.33) F11XIAPMEN1KMT2A
Hydrochloric Acid SCHEMBL3608122 0.84 GHSR (0.32) F11CYP2D6XIAPMEN1KMT2A
SCHEMBL3617998 0.84 PPARG (0.33) F11XIAPMEN1KMT2A
SCHEMBL3614774 0.84 GHSR (0.35) F11CYP2D6XIAPMEN1KMT2A
Hydrochloric Acid SCHEMBL3611582 0.84 DRD2 (0.35) CYP2D6
Hydrochloric Acid SCHEMBL3605290 0.83 PPARG (0.32) F11CYP2D6
SCHEMBL3617850 0.83 PPARG (0.33) F11MEN1KMT2A
SCHEMBL3603775 0.82 GHSR (0.33) F11CYP2D6XIAPMEN1KMT2A

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 F11 4805/4885CYP2D6 615/4885XIAP 934/4885

“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.