SCHEMBL6380564

SCHEMBL6380564

CCNc1ccc(OC)c(OC)c1OC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 1/20 0.43
PDE4D Q08499 1/20 0.43
ALDH1A1 P00352 3/20 0.43
LMNA P02545 3/20 0.43
MAPT P10636 3/20 0.43
KDM4E B2RXH2 4/20 0.41
TSHR P16473 3/20 0.41
GAA P10253 2/20 0.41
MAPK1 P28482 2/20 0.41
POLB P06746 1/20 0.41
CRHBP P24387 1/20 0.41
CRHR2 Q13324 1/20 0.41
PGK1 P00558 1/20 0.39
AOC3 Q16853 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
ADRA2A P08913 1/20 0.37
ADRA2C P18825 1/20 0.37
ADRA1D P25100 1/20 0.37
ADRA1A P35348 1/20 0.37
ADRA1B P35368 1/20 0.37

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
SCHEMBL12963035 0.86 ALDH1A1 (0.42) ALDH1A1LMNAMAPTKDM4ETSHR
SCHEMBL11640261 0.83 PDE4B (0.40) PDE4BPDE4DALDH1A1LMNAMAPT
SCHEMBL9024006 0.83 PDE4B (0.43) PDE4BPDE4DALDH1A1LMNAMAPT
SCHEMBL7399442 0.83 PDE4B (0.40) PDE4BPDE4DALDH1A1LMNAMAPT
SCHEMBL9132120 0.82 SMN1; SMN2 (0.47) PDE4BPDE4DALDH1A1LMNAMAPT
SCHEMBL11454393 0.80 DYRK1A (0.39) PDE4BPDE4DALDH1A1LMNAMAPT
SCHEMBL4778825 0.80 PDE4B (0.43) PDE4BPDE4DALDH1A1LMNAMAPT
SCHEMBL12932908 0.79 ALDH1A1 (0.40) ALDH1A1LMNAMAPTKDM4ETSHR
Hydrochloric Acid SCHEMBL14999713 0.78 PDE4B (0.42) PDE4BPDE4DALDH1A1LMNAMAPT
SCHEMBL14655577 0.78 PGK1 (0.40) PDE4BPDE4DALDH1A1LMNAMAPT

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
US-20230067029-A1 Arylalkylamine, pyrrole, indole, and opiate derivative concentration determination method and test kit using said method LEADIX GMBH (DE) 2023-03-02 US disclosed
EP-2551675-A1 Deuterium free, stable isotope labeled 2-phenylethylamine hallucinogens and/or stimulants, methods fo their preparation and their use Chiron AS (NO) 2013-01-30 EP disclosed
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
US-5028256-A Metolachlor and an acylamide compound, for maize or sorghum CIBA-GEIGY CORPORATION (US) 1991-07-02 US disclosed
US-4897109-A ACYLAMINE DERIVATIVE CIBA-GEIGY CORPORATION (US) 1990-01-30 US disclosed
US-4192877-A BIS(POLYALKOXYBENZYL)-TETRAHYDROISOQUINOLIUM ALKYL M- OR P- PHENYLENE DIPROPIONATE SALT MASSACHUSETTS GENERAL HOSPITAL (US) 1980-03-11 US 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 PDE4B 855/4885PDE4D 972/4885ALDH1A1 1115/4885

“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.