SCHEMBL3608852

SCHEMBL3608852

Cc1cc(C)c(NC(=O)C2c3cc(N(C)C)ccc3CCN2C(=O)C(C)(C)C)c(C)c1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
LMNA P02545 2/20 0.36
XIAP P98170 5/20 0.36
HPGD P15428 1/20 0.35
HTT P42858 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
TP53 P04637 2/20 0.34
MAPT P10636 2/20 0.34
HDAC6 Q9UBN7 1/20 0.34
NR1I2 O75469 1/20 0.34
ALOX15 P16050 1/20 0.33
POLB P06746 1/20 0.33
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL3602362 0.86 XIAP (0.33) XIAPHDAC6
Hydrochloric Acid SCHEMBL3611881 0.85 XIAP (0.32) XIAP
SCHEMBL3612848 0.85 XIAP (0.47) CYP3A4CYP2D6LMNAXIAPHTT
SCHEMBL3602396 0.83 F11 (0.33) LMNAXIAPHDAC6
SCHEMBL3608726 0.83 F11 (0.36) LMNASMN1; SMN2HDAC6ALDH1A1
Hydrochloric Acid SCHEMBL3606880 0.82 F11 (0.33) LMNAXIAPHDAC6
SCHEMBL3611794 0.82 NR1I2 (0.41) CYP3A4CYP2D6LMNAXIAPHTT
SCHEMBL3598720 0.77 XIAP (0.45) XIAPMAPT
SCHEMBL3612495 0.76 XIAP (0.50) XIAPHTT
SCHEMBL3609009 0.75 XIAP (0.42) XIAPALDH1A1

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 CYP3A4 512/4885CYP2D6 615/4885LMNA 4557/4885

“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.