SCHEMBL3609875

SCHEMBL3609875

CCCCCC(=O)N1CCc2ccccc2C1C(=O)Nc1c(C)cc(C)c(NS(C)(=O)=O)c1C

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ACE P12821 1/20 0.41
XIAP P98170 5/20 0.40
RORC P51449 7/20 0.40
MTNR1B P49286 2/20 0.39
ADRB2 P07550 2/20 0.38
ADRB1 P08588 2/20 0.38
ADRB3 P13945 2/20 0.38
GHSR Q92847 1/20 0.37
F11 P03951 1/20 0.35

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
SCHEMBL3600860 0.90 F11 (0.41) ACEXIAPMTNR1BF11
SCHEMBL3610934 0.86 GHSR (0.43) ACEXIAPRORCGHSRF11
SCHEMBL3607627 0.86 ACE (0.47) ACEXIAPRORCMTNR1B
SCHEMBL3607354 0.85 ACE (0.46) ACEXIAPRORCMTNR1B
SCHEMBL3608895 0.84 XIAP (0.40) ACEXIAPRORCF11
SCHEMBL3612584 0.83 XIAP (0.42) ACEXIAPRORCF11
SCHEMBL3608946 0.80 F11 (0.38) XIAPRORCF11
SCHEMBL3617469 0.78 ACE (0.43) ACEXIAPRORCMTNR1BADRB2
SCHEMBL3604048 0.78 XIAP (0.49) ACEXIAPMTNR1B
SCHEMBL3604075 0.76 RORC (0.38) RORCMTNR1BADRB2ADRB1ADRB3

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 ACE 166/4885XIAP 934/4885RORC 488/4885

“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.