SCHEMBL3609217

SCHEMBL3609217

Cc1nc(O)ccc1NC(=O)C1c2ccccc2CCN1C(=O)C(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
XIAP P98170 10/20 0.40
USP2 O75604 1/20 0.38
F11 P03951 1/20 0.38
ACE P12821 2/20 0.36
KCNQ2 O43526 1/20 0.36
TRPM8 Q7Z2W7 1/20 0.36
PPARG P37231 1/20 0.36
PPARD Q03181 1/20 0.36
PPARA Q07869 1/20 0.36
RIPK1 Q13546 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
SCHEMBL3608276 0.82 RAB9A (0.53) XIAPPPARGPPARDPPARA
SCHEMBL3611346 0.80 XIAP (0.40) XIAPF11ACEKCNQ2TRPM8
SCHEMBL3601140 0.80 F11 (0.48) XIAPF11ACETRPM8PPARG
SCHEMBL3609162 0.79 KMT2A (0.47) XIAP
SCHEMBL3612495 0.79 XIAP (0.50) XIAPUSP2F11ACE
SCHEMBL3604413 0.79 ALDH1A1 (0.47) XIAPTRPM8
SCHEMBL3612848 0.77 XIAP (0.47) XIAPF11
SCHEMBL18701726 0.77 TRPM8 (0.50) XIAPF11ACETRPM8RIPK1
SCHEMBL18701727 0.77 TRPM8 (0.50) XIAPF11ACETRPM8RIPK1
SCHEMBL3598924 0.76 XIAP (0.40) XIAPF11TRPM8PPARGPPARD

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 934/4885USP2 4115/4885F11 4805/4885

“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.