SCHEMBL3603775

SCHEMBL3603775

CCCN(C)Cc1ccc2c(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
GHSR Q92847 5/20 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
CYP2D6 P10635 1/20 0.31
F11 P03951 2/20 0.31
MEN1 O00255 2/20 0.30
KMT2A Q03164 2/20 0.30
MAPT P10636 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
XIAP P98170 2/20 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
SCHEMBL3610348 0.94 GHSR (0.33) GHSRF11MEN1KMT2AXIAP
Hydrochloric Acid SCHEMBL3605870 0.91 GHSR (0.35) GHSRSOAT2ACAT1SOAT1CYP2D6
Hydrochloric Acid SCHEMBL3608122 0.91 GHSR (0.32) GHSRCYP2D6F11MEN1KMT2A
SCHEMBL3614774 0.90 GHSR (0.35) GHSRSOAT2ACAT1SOAT1CYP2D6
SCHEMBL3606501 0.89 XIAP (0.36) GHSRS1PR1SOAT2ACAT1SOAT1
SCHEMBL3613400 0.86 CYP2D6 (0.31) GHSRCYP2D6F11XIAP
SCHEMBL3616795 0.86 CYP2D6 (0.33) GHSRSOAT2ACAT1SOAT1CYP2D6
Hydrochloric Acid SCHEMBL3606869 0.86 GHSR (0.35) GHSRCYP2D6F11MEN1KMT2A
Hydrochloric Acid SCHEMBL3612050 0.85 CYP2D6 (0.33) GHSRCYP2D6F11XIAP
SCHEMBL3602396 0.84 F11 (0.33) GHSRF11MEN1KMT2AXIAP

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 GHSR 4556/4885S1PR1 4254/4885SOAT2 7/4885

“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.