SCHEMBL3609714

SCHEMBL3609714

CCCCCC(=O)N1CCc2ccc(NC(=O)OC(C)(C)C)cc2C1C(=O)Nc1cc(C)c(OC(C)=O)c(C)c1C

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
RORC P51449 10/20 0.36
NR1I3 Q14994 5/20 0.35
GHSR Q92847 1/20 0.33
DRD2 P14416 1/20 0.33
LIPE Q05469 1/20 0.33
SLC10A2 Q12908 1/20 0.33
MTNR1B P49286 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
SCHEMBL3614097 0.90 RORC (0.37) RORCMTNR1B
Hydrochloric Acid SCHEMBL3602849 0.85 RORC (0.36) RORCGHSRMTNR1B
SCHEMBL3610576 0.84 GHSR (0.40) RORCGHSRDRD2
SCHEMBL3612271 0.83 KMT2A (0.36) RORCMTNR1B
SCHEMBL3595620 0.82 RORC (0.38) RORCGHSRMTNR1B
SCHEMBL3605281 0.81 GHSR (0.47) GHSR
SCHEMBL3602757 0.80 HRH3 (0.40) RORC
SCHEMBL3616055 0.80 RORC (0.38) RORCMTNR1B
SCHEMBL3607481 0.79 TMEM97 (0.37) MTNR1B
Hydrochloric Acid SCHEMBL3604710 0.78 RORC (0.36) RORCMTNR1B

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 488/4885NR1I3 732/4885GHSR 4556/4885

“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.