SCHEMBL3616686

SCHEMBL3616686

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

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 1/20 0.39
MTNR1B P49286 2/20 0.39
ACE P12821 1/20 0.39
RORC P51449 3/20 0.38
KDM4E B2RXH2 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
AURKB Q96GD4 3/20 0.36
EGFR P00533 2/20 0.36
RAF1 P04049 1/20 0.36
KDR P35968 1/20 0.36
MAP2K2 P36507 1/20 0.36
MAP2K1 Q02750 1/20 0.36
NR1I3 Q14994 1/20 0.36
DRD2 P14416 1/20 0.36
NPC1 O15118 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL3616685 0.79 MTNR1B (0.39) MTNR1BACERORCDRD2
SCHEMBL3609714 0.74 RORC (0.36) MTNR1BRORCNR1I3DRD2
SCHEMBL3617388 0.72 MTNR1B (0.41) MTNR1BRORCDRD2
SCHEMBL3617233 0.71 DRD2 (0.46) NR1I3DRD2
SCHEMBL3609847 0.71 NR1I2 (0.39) MTNR1BRORCKDM4ESMN1; SMN2
SCHEMBL3609218 0.71 ACE (0.70) MTNR1BACE
SCHEMBL3606133 0.69 ACE (0.45) MTNR1BACENPC1SMN1; SMN2
SCHEMBL3611673 0.69 RORC (0.36) MTNR1BRORCSMN1; SMN2
SCHEMBL3605570 0.68 MTNR1B (0.48) MTNR1BACERORC
SCHEMBL8693590 0.67 CA1 (0.54) TLR7AURKBEGFRRAF1KDR

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 TLR7 2927/4885MTNR1B 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.