SCHEMBL3602616

SCHEMBL3602616

CC(C)c1cccc(C(C)C)c1NC(=O)C1c2ccccc2CCN1C(=O)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
XIAP P98170 10/20 0.50
LMNA P02545 1/20 0.48
KMT2A Q03164 1/20 0.48
GHSR Q92847 1/20 0.47
ACE P12821 3/20 0.46
F11 P03951 4/20 0.44
KLKB1 P03952 2/20 0.43

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 0.88 XIAP (0.55) XIAPGHSRACE
SCHEMBL3607633 0.85 XIAP (0.53) XIAPKMT2AACEF11
SCHEMBL3612449 0.83 XIAP (0.50) XIAPKMT2AACEF11
SCHEMBL3604048 0.80 XIAP (0.49) XIAPACE
SCHEMBL3610720 0.77 XIAP (0.46) XIAPLMNAKMT2AACE
SCHEMBL3612823 0.77 XIAP (0.44) XIAPGHSRACEF11
SCHEMBL8800082 0.76 KMT2A (0.55) LMNAKMT2A
SCHEMBL16303966 0.75 ACE (0.50) KMT2AACEF11
SCHEMBL3608978 0.74 XIAP (0.44) XIAPKMT2A
SCHEMBL3612314 0.73 XIAP (0.43) XIAPGHSRACEF11

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 934/4885LMNA 4557/4885KMT2A 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.