SCHEMBL3827392

SCHEMBL3827392

COc1ccc2c(c1)CC(CN(C)C)C2=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
METAP1 P53582 9/20 1.00
THRA P10827 2/20 0.67
THRB P10828 2/20 0.67
CYP19A1 P11511 1/20 0.61
CYP26A1 O43174 1/20 0.49
CYP24A1 Q07973 1/20 0.49

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
SCHEMBL8012038 0.87 METAP1 (0.78) METAP1THRATHRBCYP19A1CYP26A1
SCHEMBL7590283 0.87 METAP1 (0.78) METAP1THRATHRBCYP19A1CYP26A1
Hydrochloric Acid SCHEMBL10341505 0.86 METAP1 (0.78) METAP1THRATHRBCYP19A1CYP26A1
SCHEMBL7590969 0.85 METAP1 (0.74) METAP1THRATHRBCYP19A1CYP26A1
SCHEMBL3820818 0.84 METAP1 (0.72) METAP1THRATHRBCYP19A1
SCHEMBL14306761 0.84 METAP1 (0.72) METAP1THRATHRBCYP19A1CYP26A1
Hydrochloric Acid SCHEMBL5461469 0.83 METAP1 (0.73) METAP1THRATHRBCYP19A1
SCHEMBL15617638 0.82 METAP1 (0.70) METAP1THRATHRBCYP19A1CYP26A1
SCHEMBL6272211 0.81 METAP1 (0.68) METAP1THRATHRBCYP19A1CYP26A1
SCHEMBL29130805 0.81 METAP1 (0.68) METAP1THRATHRBCYP19A1CYP26A1

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
US-8278338-B2 Saturated and unsaturated 3-pyridyl-benzocycloalkylmethyl-amines for use in treating pain, depression and/or anxiety GRUENENTHAL GMBH (DE) 2012-10-02 US disclosed
EP-1758860-B1 SATURATED AND UNSATURATED 3-PYRIDYL-BENZOCYCLOALKYLMETHYL-AMINES FOR USE IN THE TREATMENT OF PAINS, DEPRESSIONS AND ANXIETY STATES GRUENENTHAL GMBH (DE) 2009-09-02 EP disclosed
US-20070203192-A1 Saturated and unsaturated 3-pyridyl-benzocycloalkylmethyl-amines for use in treating pain, depression and/or anxiety GRUENENTHAL GMBH 2007-08-30 US disclosed
EP-1758860-A1 SATURATED AND UNSATURATED 3-PYRIDYL-BENZOCYCLOALKYLMETHYL-AMINES FOR USE IN THE TREATMENT OF PAINS, DEPRESSIONS AND ANXIETY STATES Grünenthal GmbH (DE) 2007-03-07 EP disclosed
WO-2005123681-A1 SATURATED AND UNSATURATED 3-PYRIDYL-BENZOCYCLOALKYLMETHYL-AMINES FOR USE IN THE TREATMENT OF PAINS, DEPRESSIONS AND ANXIETY STATES Grünenthal GmbH (DE) 2005-12-29 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-20070203192-A1 Saturated and unsaturated 3-pyridyl-benzocycloalkylmethyl-amines for use in treating pain, depression and/or anxiety OPRK1, OPRM1, OPRL1 METAP1 4249/4885THRA 1830/4885THRB 2539/4885

“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.