SCHEMBL4428335

SCHEMBL4428335

CCc1ccc(CC2c3cc(OC)c(OC)cc3CCN2CC(=O)NCc2ccncc2)cc1CC

nearest known ligand 0.85

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 20/20 0.85
HCRTR2 O43614 16/20 0.85

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
SCHEMBL6376615 0.92 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL4426735 0.92 HCRTR1 (0.85) HCRTR1HCRTR2
SCHEMBL4431326 0.90 HCRTR1 (0.86) HCRTR1HCRTR2
SCHEMBL4429779 0.87 HCRTR1 (0.86) HCRTR1HCRTR2
SCHEMBL27734988 0.84 HCRTR1 (0.68) HCRTR1HCRTR2
SCHEMBL6382986 0.84 HCRTR1 (0.84) HCRTR1HCRTR2
SCHEMBL6378131 0.83 HCRTR1 (0.86) HCRTR1HCRTR2
SCHEMBL6377850 0.83 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL4427865 0.83 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL6382599 0.83 HCRTR1 (0.86) HCRTR1HCRTR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1274687-B1 1,2,3,4- TETRAHYDROISOQUINOLINE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2005-01-05 EP claimed
US-6703392-B2 OREXIN RECEPTOR ANTAGONISTS FOR OBESITY OR SLEEPING DISORDER TREATMENT ACTELION PHARMACEUTICALS LTD. (CH) 2004-03-09 US claimed
US-20030176415-A1 1,2,3,4-tetrahydroisoquinoline derivatives IDORSIA PHARMACEUTICALS LTD (CH) 2003-09-18 US claimed
EP-1274687-A1 1,2,3,4- TETRAHYDROISOQUINOLINE DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2003-01-15 EP claimed
WO-2001068609-B1 1,2,3,4-TETRAHYDROISOQUINOLINE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2002-02-21 WO claimed
WO-2001068609-A1 1,2,3,4-TETRAHYDROISOQUINOLINE DERIVATIVES ACTELION PHARMACEUTICALS LTD. (CH) 2001-09-20 WO claimed
CN-101400348-A Tetrahydroisoquinoline derivatives for improving memory function ACTELION PHARMACEUTICALS LTD (CH) 2009-04-01 CN disclosed
US-20090082394-A1 Tetrahydroisoquinoline Derivatives to Enhance Memory Function ACTELION PHARMACEUTICALS, LTD. (CH) 2009-03-26 US disclosed
EP-1998774-A1 TETRAHYDROISOQUINOLINE DERIVATIVES TO ENHANCE MEMORY FUNCTION Actelion Pharmaceuticals Ltd. (CH) 2008-12-10 EP disclosed
WO-2007105177-A1 TETRAHYDROISOQUINOLINE DERIVATIVES TO ENHANCE MEMORY FUNCTION ACTELION PHARMACEUTICALS LTD (CH) 2007-09-20 WO 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
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 (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-20090082394-A1 Tetrahydroisoquinoline Derivatives to Enhance Memory Function GRIN2A, BDNF, GRIN2C HCRTR1 86/4885HCRTR2 53/4885
US-20030176415-A1 1,2,3,4-tetrahydroisoquinoline derivatives HCRTR2, HCRTR1, NPY2R HCRTR1 2/4885HCRTR2 1/4885

“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.