SCHEMBL3609300

SCHEMBL3609300

Cc1cc(C)c(NC(=O)C2c3ccccc3CCN2C(=O)[C@@H](N)Cc2ccccc2)c(C)c1

nearest known ligand 0.59

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 1/20 0.55
HDAC8 Q9BY41 1/20 0.47
XIAP P98170 5/20 0.46
ACE P12821 3/20 0.45
LMNA P02545 1/20 0.43
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
NPSR1 Q6W5P4 1/20 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
SCHEMBL3610510 0.88 OPRD1 (0.51) OPRD1XIAPACE
SCHEMBL3610424 0.81 XIAP (0.47) XIAPACELMNAHTTSMN1; SMN2
SCHEMBL3612848 0.78 XIAP (0.47) XIAPLMNAHTTSMN1; SMN2NPSR1
SCHEMBL3607627 0.76 ACE (0.47) XIAPACELMNAHTTSMN1; SMN2
SCHEMBL3607354 0.76 ACE (0.46) XIAPACELMNAHTTSMN1; SMN2
SCHEMBL3612560 0.74 MAPT (0.41) XIAPLMNAHTTSMN1; SMN2NPSR1
SCHEMBL3605762 0.74 XIAP (0.42) XIAPACELMNAHTTSMN1; SMN2
SCHEMBL3597908 0.73 TP53 (0.46) LMNAHTTSMN1; SMN2NPSR1
SCHEMBL3598720 0.73 XIAP (0.45) XIAPACE
SCHEMBL3612495 0.70 XIAP (0.50) XIAPACEHTT

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 OPRD1 2002/4885HDAC8 375/4885XIAP 934/4885

“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.