SCHEMBL3612449

SCHEMBL3612449

CCC(=O)C(=O)N1CCc2ccccc2C1C(=O)Nc1c(C(C)C)cccc1C(C)C

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
XIAP P98170 13/20 0.50
ACE P12821 3/20 0.44
F11 P03951 1/20 0.43
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL3609812 0.86 XIAP (0.55) XIAPACE
SCHEMBL3602616 0.83 XIAP (0.50) XIAPACEF11KMT2A
SCHEMBL3607633 0.83 XIAP (0.53) XIAPACEF11MEN1KMT2A
SCHEMBL3604048 0.82 XIAP (0.49) XIAPACE
SCHEMBL3610720 0.78 XIAP (0.46) XIAPACEMEN1KMT2ATDP1
SCHEMBL3612823 0.75 XIAP (0.44) XIAPACEF11
SCHEMBL3613659 0.75 XIAP (0.44) XIAPACE
SCHEMBL8800082 0.74 KMT2A (0.55) MEN1KMT2ATDP1
SCHEMBL3606601 0.74 XIAP (0.42) XIAPACE
Hydrochloric Acid SCHEMBL3611807 0.74 XIAP (0.44) XIAPACE

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 934/4885ACE 166/4885F11 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.