SCHEMBL6375212

SCHEMBL6375212

COc1ccc(CC2NCCc3cc(OCc4ccccc4)c(OC)cc32)cc1OC

nearest known ligand 0.89

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
BCHE P06276 2/20 0.67
KDM4E B2RXH2 2/20 0.65
MAPT P10636 2/20 0.65
GAA P10253 1/20 0.65
HTT P42858 1/20 0.65
PKM P14618 1/20 0.58
ACHE P22303 1/20 0.57

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
SCHEMBL6376659 1.00 BCHE (0.67) BCHEKDM4EMAPTGAAHTT
SCHEMBL6375550 1.00 BCHE (0.67) BCHEKDM4EMAPTGAAHTT
SCHEMBL9416585 1.00 BCHE (0.67) BCHEKDM4EMAPTGAAHTT
SCHEMBL18736057 0.98 KDM4E (0.68) BCHEKDM4EMAPTGAAHTT
SCHEMBL18736029 0.98 KDM4E (0.68) BCHEKDM4EMAPTGAAHTT
SCHEMBL5209588 0.94 BCHE (0.58) BCHEKDM4EMAPTGAAHTT
SCHEMBL10548574 0.91 ADRB2 (0.64) BCHEKDM4EMAPTGAAHTT
SCHEMBL6391844 0.91 BCHE (0.61) BCHEKDM4EMAPTGAAHTT
SCHEMBL17212225 0.89 BCHE (0.58) BCHEKDM4EMAPTGAAHTT
SCHEMBL17212223 0.89 BCHE (0.58) 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 5 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 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 (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 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.