SCHEMBL3616795

SCHEMBL3616795

CCCNCc1ccc2c(c1)C(C(=O)Nc1cc(C)c(O)c(C)c1C)N(C(=O)C(C)(C)C)CC2

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.33
SOAT2 O75908 1/20 0.32
ACAT1 P24752 1/20 0.32
SOAT1 P35610 1/20 0.32
F11 P03951 2/20 0.31
GHSR Q92847 2/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
PPARG P37231 1/20 0.30
PPARD Q03181 1/20 0.30
PPARA Q07869 1/20 0.30
LMNA P02545 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
SCHEMBL3612231 0.93 F11 (0.31) CYP2D6F11MEN1KMT2A
Hydrochloric Acid SCHEMBL3613020 0.92 CYP2D6 (0.32) CYP2D6F11
SCHEMBL3603775 0.86 GHSR (0.33) CYP2D6SOAT2ACAT1SOAT1F11
SCHEMBL3614774 0.86 GHSR (0.35) CYP2D6SOAT2ACAT1SOAT1F11
Hydrochloric Acid SCHEMBL3608122 0.85 GHSR (0.32) CYP2D6F11GHSRMEN1KMT2A
Hydrochloric Acid SCHEMBL3611582 0.84 DRD2 (0.35) CYP2D6PPARGPPARDPPARA
Hydrochloric Acid SCHEMBL3605870 0.84 GHSR (0.35) CYP2D6SOAT2ACAT1SOAT1F11
SCHEMBL3617850 0.84 PPARG (0.33) F11MEN1KMT2APPARGPPARD
SCHEMBL3617998 0.83 PPARG (0.33) F11MEN1KMT2APPARGPPARD
SCHEMBL3610348 0.83 GHSR (0.33) F11GHSRMEN1KMT2A

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 2 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 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 CYP2D6 615/4885SOAT2 7/4885ACAT1 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.