SCHEMBL1073016

SCHEMBL1073016

CNCC1Cc2cc(OC)c(OC)cc2C1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
ALOX15 P16050 1/20 0.46
MAPK1 P28482 1/20 0.46
CYP3A4 P08684 1/20 0.45
MAPT P10636 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
BCHE P06276 2/20 0.41
ACHE P22303 1/20 0.40
RAD52 P43351 1/20 0.38
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
HTR2B P41595 1/20 0.38
ATM Q13315 2/20 0.37
POLB P06746 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
SCHEMBL3158701 0.81 ALDH1A1 (0.44) ALDH1A1CYP2D6CYP2C9ALOX15MAPK1
SCHEMBL28004385 0.77 NQO2 (0.43) ALDH1A1CYP2D6CYP2C9ALOX15MAPK1
SCHEMBL224105 0.77 NQO2 (0.43) ALDH1A1CYP2D6CYP2C9ALOX15MAPK1
SCHEMBL7900037 0.77 NQO2 (0.43) ALDH1A1CYP2D6CYP2C9ALOX15MAPK1
SCHEMBL29561955 0.77 NQO2 (0.43) ALDH1A1CYP2D6CYP2C9ALOX15MAPK1
SCHEMBL221006 0.77 NQO2 (0.43) ALDH1A1CYP2D6CYP2C9ALOX15MAPK1
SCHEMBL3143084 0.77 NQO2 (0.43) ALDH1A1CYP2D6CYP2C9ALOX15MAPK1
SCHEMBL13936950 0.76 CA1 (0.42) ALDH1A1CYP2D6CYP2C9ALOX15MAPK1
SCHEMBL7442533 0.76 CYP2D6 (0.49) ALDH1A1CYP2D6CYP2C9ALOX15MAPK1
SCHEMBL3149281 0.76 ALDH1A1 (0.49) ALDH1A1CYP2D6CYP2C9ALOX15MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101386594-B 1,2,4, 5-tetrahydro-3H-benzazepine compounds, process for their preparation and pharmaceutical compositions containing them SERVIER LAB 2012-05-16 CN disclosed
US-8076325-B2 1,2,4,5-tetrahydro-3H-benzazepine compounds, a process for their preparation and pharmaceutical compositions containing them LES LABORATOIRES SERVIER (FR) 2011-12-13 US disclosed
WO-2011000915-A1 ISOFORM-SELECTIVE HCN BLOCKERS UNIVERSITA' DEGLI STUDI DI FIRENZE (IT) 2011-01-06 WO disclosed
EP-2036892-B1 1,2,4,5-tetrahydro-3H-benzazepine derivatives, process for their preparation and pharmaceutical compositions containing them SERVIER LAB (FR) 2010-03-10 EP disclosed
EP-2036892-A1 1,2,4,5-tetrahydro-3H-benzazepine derivatives, process for their preparation and pharmaceutical compositions containing them Les Laboratoires Servier (FR) 2009-03-18 EP disclosed
CN-101386594-A 1,2,4, 5-tetrahydro-3H-benzoaza compounds, a process for their preparation and pharmaceutical compositions containing them SERVIER LAB (FR) 2009-03-18 CN disclosed
US-20090069296-A1 1,2,4,5-Tetrahydro-3H-benzazepine compounds, a process for their preparation and pharmaceutical compositions containing them LES LABORATOIRES SERVIER (FR) 2009-03-12 US disclosed
US-5296482-A (Benzocycloalkyl) alkylamines ADIR ET COMPAGNIE (FR) 1994-03-22 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-20090069296-A1 1,2,4,5-Tetrahydro-3H-benzazepine compounds, a process for their preparation and pharmaceutical compositions containing them OXER1, NR1H3, OXSR1 ALDH1A1 1056/4885CYP2D6 82/4885CYP2C9 27/4885

“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.