SCHEMBL3601025

SCHEMBL3601025

CCC(C)(C)C(=O)N1CCc2ccc(C#N)cc2C1C(=O)Nc1c(C(C)C)cccc1C(C)C

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
XIAP P98170 10/20 0.39
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
F11 P03951 1/20 0.36
TRPM8 Q7Z2W7 1/20 0.36
DRD2 P14416 4/20 0.35
DRD3 P35462 2/20 0.35
MCHR1 Q99705 1/20 0.35
CCR2 P41597 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
SCHEMBL3611817 0.85 GHSR (0.44) XIAPDRD2
SCHEMBL3612823 0.79 XIAP (0.44) XIAPF11
SCHEMBL3608978 0.79 XIAP (0.44) XIAPMEN1KMT2ATDP1
SCHEMBL3612314 0.77 XIAP (0.43) XIAPF11
SCHEMBL3607633 0.76 XIAP (0.53) XIAPMEN1KMT2ATDP1F11
SCHEMBL3612502 0.72 XIAP (0.38) XIAPF11
SCHEMBL3596631 0.71 SOAT1 (0.44) XIAP
SCHEMBL3612449 0.70 XIAP (0.50) XIAPMEN1KMT2ATDP1F11
SCHEMBL3609812 0.70 XIAP (0.55) XIAP
SCHEMBL18711706 0.70 RIPK1 (0.49) XIAPMEN1KMT2AF11TRPM8

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 934/4885MEN1 4401/4885KMT2A 343/4885

“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.