SCHEMBL6376353

SCHEMBL6376353

CCC(C(=O)NCCc1ccc(OC)c(OC)c1)c1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.68
ALDH1A1 P00352 3/20 0.60
KMT2A Q03164 3/20 0.59
MEN1 O00255 2/20 0.59
MAPK1 P28482 1/20 0.59
NPSR1 Q6W5P4 1/20 0.59
KDM4A O75164 1/20 0.58
GAA P10253 1/20 0.58
ADRB2 P07550 1/20 0.57
PLAAT3 P53816 1/20 0.57
PLAAT5 Q96KN8 1/20 0.57
PLAAT2 Q9NWW9 1/20 0.57
PLAAT4 Q9UL19 1/20 0.57
MAPT P10636 1/20 0.57
CA12 O43570 1/20 0.56
CA1 P00915 1/20 0.56
CA2 P00918 1/20 0.56
CA9 Q16790 1/20 0.56
HPGD P15428 1/20 0.56
ALOX12 P18054 1/20 0.56

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
SCHEMBL742343 0.86 KMT2A (0.71) ALDH1A1KMT2AMEN1MAPK1NPSR1
SCHEMBL6094268 0.85 ALDH1A1 (0.62) ALDH1A1KMT2AMEN1MAPK1NPSR1
SCHEMBL8098635 0.85 ALDH1A1 (0.62) ALDH1A1KMT2AMEN1MAPK1NPSR1
SCHEMBL20418416 0.84 ALDH1A1 (0.61) ALDH1A1KMT2AMEN1MAPK1NPSR1
SCHEMBL8428854 0.84 ALDH1A1 (0.61) ALDH1A1KMT2AMEN1MAPK1NPSR1
SCHEMBL11509318 0.84 ALDH1A1 (0.61) ALDH1A1KMT2AMEN1MAPK1NPSR1
SCHEMBL23417613 0.82 CA12 (0.64) ALDH1A1KMT2AMEN1GAAMAPT
SCHEMBL10690654 0.81 KMT2A (0.59) ALDH1A1KMT2AMEN1MAPK1NPSR1
SCHEMBL11211724 0.81 ALDH1A1 (0.55) ALDH1A1KMT2AMEN1MAPK1NPSR1
SCHEMBL8107748 0.81 HTT (0.57) ALDH1A1KMT2AMEN1MAPK1NPSR1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100393703-C 1,2,3,4-tetrahydroisoquinoline derivatives ACTELION PHARMACEUTICALS LTD (CH) 2008-06-11 CN disclosed
EP-1274687-B1 1,2,3,4- TETRAHYDROISOQUINOLINE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2005-01-05 EP disclosed
US-6703392-B2 OREXIN RECEPTOR ANTAGONISTS FOR OBESITY OR SLEEPING DISORDER TREATMENT ACTELION PHARMACEUTICALS LTD. (CH) 2004-03-09 US disclosed
US-20030176415-A1 1,2,3,4-tetrahydroisoquinoline derivatives IDORSIA PHARMACEUTICALS LTD (CH) 2003-09-18 US disclosed
CN-1416420-A 1,2,3, 4-tetrahydroisoquinoline derivatives ACTELION PHARMACEUTICALS LTD (CH) 2003-05-07 CN disclosed
EP-1274687-A1 1,2,3,4- TETRAHYDROISOQUINOLINE DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2003-01-15 EP disclosed
WO-2001068609-A1 1,2,3,4-TETRAHYDROISOQUINOLINE DERIVATIVES ACTELION PHARMACEUTICALS LTD. (CH) 2001-09-20 WO 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-20030176415-A1 1,2,3,4-tetrahydroisoquinoline derivatives HCRTR2, HCRTR1, NPY2R POLB 4785/4885ALDH1A1 1115/4885KMT2A 1396/4885

“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.