SCHEMBL6375570

SCHEMBL6375570

COc1cc2c(cc1OC)C(Cc1ccc(OC)c(OC)c1OC)NCC2

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.61
KDM4E B2RXH2 2/20 0.56
MAPT P10636 2/20 0.56
KMT2A Q03164 2/20 0.56
GAA P10253 1/20 0.56
HTT P42858 1/20 0.56
ADRB2 P07550 1/20 0.55
ADRB1 P08588 1/20 0.55
HTR1A P08908 1/20 0.55
ADRA2A P08913 1/20 0.55
ADRB3 P13945 1/20 0.55
DRD1 P21728 1/20 0.55
TBXA2R P21731 1/20 0.55
PTGS1 P23219 1/20 0.55
OPRM1 P35372 1/20 0.55
DRD3 P35462 1/20 0.55
DHFR P00374 1/20 0.55
PKM P14618 1/20 0.53
KDM4C Q9H3R0 1/20 0.53
ALDH1A1 P00352 1/20 0.52

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
SCHEMBL12634232 0.89 BCHE (0.60) BCHEKDM4EMAPTKMT2AGAA
Tetrahydropapaverine SCHEMBL29375914 0.84 BCHE (0.79) BCHEKDM4EMAPTGAAHTT
Tetrahydropapaverine SCHEMBL30298903 0.84 BCHE (0.79) BCHEKDM4EMAPTGAAHTT
Tetrahydropapaverine SCHEMBL30298880 0.84 BCHE (0.79) BCHEKDM4EMAPTGAAHTT
Tetrahydropapaverine SCHEMBL1076975 0.84 BCHE (0.79) BCHEKDM4EMAPTGAAHTT
Tetrahydropapaverine SCHEMBL6398843 0.84 BCHE (0.79) BCHEKDM4EMAPTGAAHTT
Tetrahydropapaverine SCHEMBL31612469 0.84 BCHE (0.79) BCHEKDM4EMAPTGAAHTT
Tetrahydropapaverine SCHEMBL30441145 0.84 BCHE (0.79) BCHEKDM4EMAPTGAAHTT
Tetrahydropapaverine SCHEMBL251076 0.84 BCHE (0.79) BCHEKDM4EMAPTGAAHTT
Tetrahydropapaverine SCHEMBL6382627 0.83 BCHE (0.77) BCHEKDM4EMAPTGAAHTT

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 12 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
CN-1288148-C 1,2,3,4-tetrahydroisoquinolines derivatives as urotensin II receptor antagonists ACTELION PHARMACEUTICALS LTD (CH) 2006-12-06 CN disclosed
EP-1379523-B1 1,2,3,4-TETRAHYDROISOQUINOLINES DERIVATIVES AS UROTENSIN II RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2005-07-27 EP disclosed
EP-1274687-B1 1,2,3,4- TETRAHYDROISOQUINOLINE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2005-01-05 EP disclosed
US-20040242564-A1 1,2,3,4-tetrahydroisoquinolines derivatives VELKER JORG (DE) 2004-12-02 US disclosed
US-6703392-B2 OREXIN RECEPTOR ANTAGONISTS FOR OBESITY OR SLEEPING DISORDER TREATMENT ACTELION PHARMACEUTICALS LTD. (CH) 2004-03-09 US disclosed
EP-1379523-A1 1,2,3,4-TETRAHYDROISOQUINOLINES DERIVATIVES AS UROTENSIN II RECEPTOR ANTAGONISTS Actelion Pharmaceuticals Ltd. (CH) 2004-01-14 EP 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-2002076979-A1 1,2,3,4-TETRAHYDROISOQUINOLINES DERIVATIVES AS UROTENSIN II RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2002-10-03 WO 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 (2 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-20040242564-A1 1,2,3,4-tetrahydroisoquinolines derivatives ADRA2C, ADRA1D, ADRB3 BCHE 831/4885KDM4E 2339/4885MAPT 1248/4885
US-20030176415-A1 1,2,3,4-tetrahydroisoquinoline derivatives HCRTR2, HCRTR1, NPY2R BCHE 2321/4885KDM4E 1711/4885MAPT 1858/4885

“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.