SCHEMBL3598780

SCHEMBL3598780

CCC(C)(C)C(=O)N1CCc2ccc(OC(C)(C)C(=O)O)cc2C1C(=O)Nc1cc(C)c(O)c(C)c1C

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
RORC P51449 9/20 0.34
GHSR Q92847 6/20 0.33
F11 P03951 2/20 0.32
MAPK1 P28482 1/20 0.32
MAPK14 Q16539 1/20 0.32
RIPK1 Q13546 1/20 0.32
MTNR1A P48039 1/20 0.31
MTNR1B P49286 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
SCHEMBL3609124 0.85 RAD52 (0.33) F11RIPK1
Hydrochloric Acid SCHEMBL3610601 0.84 RAD52 (0.32) F11RIPK1
SCHEMBL3608297 0.84 RIPK1 (0.32) F11RIPK1
SCHEMBL3599877 0.83 RORC (0.34) RORCGHSRF11RIPK1
Hydrochloric Acid SCHEMBL3604099 0.83 F11 (0.31) F11RIPK1
Hydrochloric Acid SCHEMBL3607691 0.83 CYP2D6 (0.33) GHSRF11RIPK1
SCHEMBL3613400 0.82 CYP2D6 (0.31) GHSRF11RIPK1
SCHEMBL3616692 0.82 PPARA (0.32) RORC
Hydrochloric Acid SCHEMBL3612050 0.82 CYP2D6 (0.33) GHSRF11RIPK1
SCHEMBL3609882 0.79 GHSR (0.37) GHSRF11

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 4556/4885F11 4805/4885

“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.