SCHEMBL3596058

SCHEMBL3596058

CCCCCC(=O)N1CCc2ccc(OCCCO)cc2C1C(=O)Nc1c(C(C)C)cccc1C(C)C

nearest known ligand 0.43

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 2/20 0.43
RORC P51449 4/20 0.41
MTNR1B P49286 2/20 0.40
TP53 P04637 1/20 0.39

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
SCHEMBL3596631 0.86 SOAT1 (0.44) GHSRRORCMTNR1B
SCHEMBL3604048 0.83 XIAP (0.49) MTNR1B
SCHEMBL3612543 0.81 RORC (0.39) GHSRRORCMTNR1BTP53
SCHEMBL3612241 0.81 GHSR (0.49) GHSR
SCHEMBL3608616 0.79 RORC (0.39) GHSRRORCMTNR1B
Hydrochloric Acid SCHEMBL3613026 0.78 RORC (0.38) GHSRRORCMTNR1B
SCHEMBL3613659 0.77 XIAP (0.44) GHSRRORCMTNR1B
SCHEMBL3612619 0.77 GHSR (0.51) GHSR
Hydrochloric Acid SCHEMBL3611807 0.77 XIAP (0.44) GHSRRORCMTNR1B
SCHEMBL3600789 0.76 RORC (0.43) GHSRRORCMTNR1BTP53

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 GHSR 4556/4885RORC 488/4885MTNR1B 2142/4885

“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.