SCHEMBL3616685

SCHEMBL3616685

CCCCCC(=O)N1CCc2ccc(N(NC(=O)OC(C)(C)C)C(C)=O)cc2C1C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MTNR1B P49286 4/20 0.39
ACE P12821 2/20 0.39
TP53 P04637 1/20 0.35
RORC P51449 3/20 0.35
CTSK P43235 1/20 0.34
DRD2 P14416 1/20 0.33
GHSR Q92847 4/20 0.33
MAPT P10636 1/20 0.32

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
SCHEMBL3617388 0.92 MTNR1B (0.41) MTNR1BTP53RORCCTSKDRD2
SCHEMBL3611673 0.87 RORC (0.36) MTNR1BTP53RORCGHSR
SCHEMBL3616686 0.79 TLR7 (0.39) MTNR1BACERORCDRD2
SCHEMBL3609218 0.71 ACE (0.70) MTNR1BACE
SCHEMBL3606133 0.70 ACE (0.45) MTNR1BACETP53MAPT
SCHEMBL3609714 0.69 RORC (0.36) MTNR1BRORCDRD2GHSR
SCHEMBL3605570 0.68 MTNR1B (0.48) MTNR1BACETP53RORCMAPT
SCHEMBL3611794 0.67 NR1I2 (0.41) MTNR1BTP53RORC
SCHEMBL3360426 0.67 MTNR1A (0.37) MTNR1B
SCHEMBL22494094 0.67 ACE (0.61) MTNR1BACE

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 MTNR1B 2142/4885ACE 166/4885TP53 1800/4885

“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.