SCHEMBL3605762

SCHEMBL3605762

CCCCC(C)(C)C(=O)N1CCc2ccccc2C1C(=O)Nc1c(C)cc(C)cc1C

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
XIAP P98170 9/20 0.42
NR1I2 O75469 1/20 0.42
MAPT P10636 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
POLB P06746 1/20 0.41
TSHR P16473 1/20 0.41
LMNA P02545 1/20 0.41
HTT P42858 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
TP53 P04637 1/20 0.39
OPRM1 P35372 1/20 0.38
OPRK1 P41145 1/20 0.38
F11 P03951 1/20 0.38
ALDH1A1 P00352 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
ACE P12821 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
SCHEMBL3612848 0.86 XIAP (0.47) XIAPMAPTSMN1; SMN2LMNAHTT
SCHEMBL3607627 0.84 ACE (0.47) XIAPNR1I2MAPTSMN1; SMN2POLB
SCHEMBL3607354 0.83 ACE (0.46) XIAPNR1I2MAPTSMN1; SMN2POLB
SCHEMBL3598720 0.79 XIAP (0.45) XIAPMAPTF11MEN1KMT2A
SCHEMBL3615474 0.78 RIPK1 (0.41) XIAPF11ACE
SCHEMBL3612495 0.78 XIAP (0.50) XIAPHTTF11MEN1KMT2A
SCHEMBL3610424 0.77 XIAP (0.47) XIAPMAPTSMN1; SMN2LMNAHTT
SCHEMBL3608895 0.77 XIAP (0.40) XIAPF11ACE
SCHEMBL3610687 0.77 RIPK1 (0.40) XIAPF11ACE
SCHEMBL3608697 0.76 MMP8 (0.46) XIAPNR1I2MAPTSMN1; SMN2POLB

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 4 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 claimed
EP-1857444-A1 TETRAHYDROISOQUINOLINE COMPOUND AND MEDICINAL USE THEREOF Kyoto Pharmaceutical Industries, Ltd. (JP) 2007-11-21 EP claimed
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 934/4885NR1I2 634/4885MAPT 260/4885

“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.