SCHEMBL3598720

SCHEMBL3598720

Cc1cc(N)cc(C)c1NC(=O)C1c2ccccc2CCN1C(=O)C(C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
XIAP P98170 10/20 0.45
F11 P03951 1/20 0.41
PPARG P37231 1/20 0.38
PPARD Q03181 1/20 0.38
PPARA Q07869 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
ACE P12821 2/20 0.38
MAPT P10636 1/20 0.37
RIPK1 Q13546 1/20 0.37

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
SCHEMBL3612848 0.92 XIAP (0.47) XIAPF11MEN1KMT2AMAPT
SCHEMBL3612495 0.89 XIAP (0.50) XIAPF11MEN1KMT2AACE
SCHEMBL3617454 0.86 XIAP (0.43) XIAPF11MEN1KMT2AMAPT
SCHEMBL3609009 0.85 XIAP (0.42) XIAPF11MEN1KMT2AACE
SCHEMBL3613507 0.84 XIAP (0.43) XIAPF11PPARGPPARDPPARA
SCHEMBL3608334 0.84 XIAP (0.41) XIAPF11PPARGPPARDPPARA
SCHEMBL3612584 0.82 XIAP (0.42) XIAPF11PPARGPPARDPPARA
SCHEMBL3612013 0.82 XIAP (0.41) XIAPF11PPARGPPARDPPARA
SCHEMBL3608276 0.81 RAB9A (0.53) XIAPPPARGPPARDPPARAMEN1
SCHEMBL3607633 0.81 XIAP (0.53) XIAPF11MEN1KMT2AACE

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 XIAP 934/4885F11 4805/4885PPARG 443/4885

“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.