SCHEMBL3600705

SCHEMBL3600705

COc1cc(OC)c(NC(=O)C2c3cc(N)ccc3CCN2C(=O)CC(C)(C)C)c(OC)c1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RORC P51449 13/20 0.43
GHSR Q92847 1/20 0.40
KMT2A Q03164 1/20 0.38
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
GAA P10253 1/20 0.36
HTT P42858 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MTNR1A P48039 1/20 0.36
MTNR1B P49286 1/20 0.36
TAS1R3 Q7RTX0 1/20 0.36
TAS1R1 Q7RTX1 1/20 0.36
TAS1R2 Q8TE23 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
SCHEMBL5274785 0.80 RORC (0.39) RORCGHSRMTNR1AMTNR1B
Hydrochloric Acid SCHEMBL3606025 0.79 RORC (0.38) RORCGHSRCYP2D6MTNR1AMTNR1B
Hydrochloric Acid SCHEMBL3603522 0.77 XIAP (0.40) RORCGHSRCYP2D6L3MBTL1
SCHEMBL3614824 0.77 GHSR (0.37) RORCGHSR
Hydrochloric Acid SCHEMBL3608128 0.76 GHSR (0.36) RORCGHSR
SCHEMBL3605570 0.68 MTNR1B (0.48) RORCMTNR1B
SCHEMBL3609811 0.67 MEN1 (0.39) RORCGHSRKMT2ACYP3A4CYP2D6
SCHEMBL3610934 0.66 GHSR (0.43) RORCGHSR
Hydrochloric Acid SCHEMBL3614218 0.64 RORC (0.34) RORCGAAHTTMTNR1B
SCHEMBL3604212 0.64 NR1H2 (0.34) RORCKMT2A

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 RORC 488/4885GHSR 4556/4885KMT2A 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.