SCHEMBL3607351

SCHEMBL3607351

Cc1cc(NC(=O)C2c3cc(NS(C)(=O)=O)ccc3CCN2C(=O)C(C)(C)C)c(C)c(C)c1O

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RORC P51449 8/20 0.37
F11 P03951 5/20 0.35
DRD2 P14416 1/20 0.33
DRD1 P21728 1/20 0.33
DRD5 P21918 1/20 0.33
CYP2D6 P10635 3/20 0.32
TRIM24 O15164 1/20 0.32
KCNH2 Q12809 1/20 0.32
KCNA1 Q09470 1/20 0.32
KCNAB1 Q14722 1/20 0.32
HTR1A P08908 1/20 0.32
HTR7 P34969 1/20 0.32
HDAC6 Q9UBN7 1/20 0.31
IL17A Q16552 1/20 0.31

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
SCHEMBL3613414 0.89 RORC (0.37) RORCF11DRD2DRD1DRD5
SCHEMBL3604212 0.85 NR1H2 (0.34) RORCF11DRD1HDAC6
Hydrochloric Acid SCHEMBL3603755 0.85 NR1H2 (0.34) F11DRD1HDAC6
SCHEMBL3604075 0.84 RORC (0.38) RORCF11DRD2CYP2D6
SCHEMBL3602396 0.84 F11 (0.33) F11HDAC6
Hydrochloric Acid SCHEMBL3606880 0.83 F11 (0.33) F11HDAC6
SCHEMBL3595832 0.82 CTSS (0.39) F11
Hydrochloric Acid SCHEMBL3611582 0.82 DRD2 (0.35) DRD2DRD1CYP2D6
SCHEMBL3614831 0.82 RORC (0.31) RORCF11HDAC6
SCHEMBL3617850 0.81 PPARG (0.33) F11

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 RORC 488/4885F11 4805/4885DRD2 4578/4885

“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.