SCHEMBL3613299

SCHEMBL3613299

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

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RORC P51449 8/20 0.33
MTNR1B P49286 2/20 0.33
ACE P12821 1/20 0.32
F11 P03951 2/20 0.32
TP53 P04637 1/20 0.32
SOAT2 O75908 1/20 0.32
ACAT1 P24752 1/20 0.32
SOAT1 P35610 1/20 0.32
GHSR Q92847 1/20 0.31
RAB9A P51151 1/20 0.31
GFER P55789 1/20 0.31
XIAP P98170 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 SCHEMBL3613472 0.99 RORC (0.33) RORCMTNR1BACEF11TP53
SCHEMBL3596093 0.94 RORC (0.36) RORCMTNR1BF11TP53SOAT2
Hydrochloric Acid SCHEMBL3609121 0.93 RORC (0.36) RORCMTNR1BF11TP53SOAT2
Hydrochloric Acid SCHEMBL3614218 0.87 RORC (0.34) RORCMTNR1BACEF11TP53
SCHEMBL3608297 0.86 RIPK1 (0.32) F11RAB9AGFER
SCHEMBL3612962 0.86 HTR1A (0.39) TP53SOAT2ACAT1SOAT1
SCHEMBL3616206 0.86 XIAP (0.37) ACEF11XIAP
SCHEMBL3602396 0.86 F11 (0.33) F11GHSRXIAP
Hydrochloric Acid SCHEMBL3604099 0.85 F11 (0.31) F11RAB9AGFER
Hydrochloric Acid SCHEMBL3612487 0.85 XIAP (0.37) ACEF11XIAP

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 488/4885MTNR1B 2142/4885ACE 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.