SCHEMBL6397183

SCHEMBL6397183

COc1cc2c(cc1OC)[C@@H](Cc1ccc(F)cc1)NCC2

nearest known ligand 0.79

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
BCHE P06276 2/20 0.77
KDM4C Q9H3R0 1/20 0.70
KDM4E B2RXH2 1/20 0.67
MAPT P10636 1/20 0.67
PKM P14618 1/20 0.67
ACHE P22303 1/20 0.62

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
SCHEMBL4029928 1.00 BCHE (0.77) BCHEKDM4CKDM4EMAPTPKM
SCHEMBL3542624 0.96 BCHE (0.72) BCHEKDM4CKDM4EMAPTPKM
Oxalic Acid SCHEMBL6186341 0.90 BCHE (0.67) BCHEKDM4CKDM4EMAPTPKM
Oxalic Acid SCHEMBL3544096 0.90 BCHE (0.67) BCHEKDM4CKDM4EMAPTPKM
SCHEMBL5090854 0.90 BCHE (0.67) BCHEKDM4CKDM4EMAPTPKM
SCHEMBL4027475 0.88 BCHE (0.79) BCHEKDM4EMAPTPKMACHE
SCHEMBL29590605 0.88 BCHE (0.79) BCHEKDM4EMAPTPKMACHE
SCHEMBL4245372 0.88 BCHE (0.79) BCHEKDM4EMAPTPKMACHE
SCHEMBL4251359 0.88 BCHE (0.79) BCHEKDM4EMAPTPKMACHE
Tetrahydropapaverine SCHEMBL251076 0.88 BCHE (0.79) BCHEKDM4EMAPTPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-20040242564-A1 1,2,3,4-tetrahydroisoquinolines derivatives VELKER JORG (DE) 2004-12-02 US disclosed
US-6815451-B2 1,2,3,4-Tetrahydroisoquinolines derivatives as urotensin II receptor antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2004-11-09 US disclosed
US-20040110744-A1 1 2 3 4 Tetrahydroisoquinolines derivatives as urotensin II receptor antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2004-06-10 US disclosed
CN-1494542-A 1,2,3,4-tetrahydroisoquinolines derivatives as urotensin II receptor antagonists ������˹ҩƷ��˾ 2004-05-05 CN 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 831/4885KDM4C 1980/4885KDM4E 2339/4885
US-20040110744-A1 1 2 3 4 Tetrahydroisoquinolines derivatives as urotensin II receptor antagonists UTS2R, NTSR2, NTSR1 BCHE 1547/4885KDM4C 4172/4885KDM4E 4223/4885

“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.