SCHEMBL3613552

SCHEMBL3613552

C=CCCCC(=O)N1CCc2ccc(N)cc2C1C(=O)Nc1cc(C)c(O)c(C)c1C

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
RORC P51449 9/20 0.36
F11 P03951 4/20 0.34
ACE P12821 1/20 0.31
GHSR Q92847 1/20 0.30

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
Hydrochloric Acid SCHEMBL3611710 0.99 RORC (0.35) RORCF11ACE
SCHEMBL3608986 0.90 RORC (0.37) RORCF11ACEGHSR
Hydrochloric Acid SCHEMBL3610550 0.89 RORC (0.37) RORCF11ACEGHSR
SCHEMBL3607582 0.89 RORC (0.37) RORCF11ACE
Hydrochloric Acid SCHEMBL3611410 0.88 RORC (0.36) RORCF11ACE
Hydrochloric Acid SCHEMBL3614218 0.87 RORC (0.34) RORCF11ACE
SCHEMBL3612536 0.86 RORC (0.34) RORCF11ACEGHSR
Hydrochloric Acid SCHEMBL3613423 0.85 RORC (0.33) RORCF11ACEGHSR
SCHEMBL3614824 0.84 GHSR (0.37) RORCF11GHSR
Hydrochloric Acid SCHEMBL3608128 0.83 GHSR (0.36) RORCF11GHSR

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 4805/4885ACE 166/4885

“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.