SCHEMBL3598872

SCHEMBL3598872

CCCCCNC(=O)C1c2ccccc2CCN1C(=O)Nc1cc(C)c(O)c(C)c1C

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 3/20 0.41
HSP90AB1 P08238 3/20 0.41
SOAT2 O75908 1/20 0.41
ACAT1 P24752 1/20 0.41
SOAT1 P35610 1/20 0.41
BCHE P06276 1/20 0.39
ACHE P22303 1/20 0.39
NAMPT P43490 2/20 0.39
GHSR Q92847 6/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
OPRM1 P35372 1/20 0.36
OPRK1 P41145 1/20 0.36
F11 P03951 1/20 0.36
GAA P10253 1/20 0.36

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
SCHEMBL3617469 0.83 ACE (0.43) SOAT2ACAT1SOAT1GHSRF11
SCHEMBL3608890 0.80 OPRM1 (0.44) SOAT2ACAT1SOAT1BCHEACHE
Hydrochloric Acid SCHEMBL3606029 0.79 OPRM1 (0.44) SOAT2ACAT1SOAT1BCHEACHE
SCHEMBL3601495 0.77 XIAP (0.45) F11
SCHEMBL3609076 0.77 GHSR (0.39) HSP90AA1HSP90AB1BCHEACHENAMPT
SCHEMBL3616236 0.74 RORC (0.39) SOAT2ACAT1SOAT1GHSR
SCHEMBL3615625 0.74 GHSR (0.42) HSP90AA1HSP90AB1BCHEACHENAMPT
SCHEMBL3607582 0.73 RORC (0.37) SOAT2ACAT1SOAT1F11
Hydrochloric Acid SCHEMBL3611410 0.72 RORC (0.36) SOAT2ACAT1SOAT1F11
SCHEMBL3611181 0.72 PPARD (0.44) SOAT2ACAT1SOAT1GHSRKMT2A

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 HSP90AA1 1891/4885HSP90AB1 1569/4885SOAT2 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.