SCHEMBL3828533

SCHEMBL3828533

CN(C)CC1Cc2cc(F)ccc2C1=O

nearest known ligand 0.69

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
METAP1 P53582 10/20 0.69
THRA P10827 1/20 0.56
THRB P10828 1/20 0.56
DRD2 P14416 3/20 0.48
DRD3 P35462 3/20 0.48
HTR1A P08908 2/20 0.48
HTR2A P28223 2/20 0.48
HTR7 P34969 2/20 0.48
HTR2B P41595 1/20 0.48
DRD1 P21728 1/20 0.46
HTR2C P28335 3/20 0.46
DRD4 P21917 1/20 0.44
SLC6A4 P31645 1/20 0.44
SIGMAR1 Q99720 1/20 0.44

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
Hydrochloric Acid SCHEMBL5462022 0.98 METAP1 (0.72) METAP1THRATHRBDRD2DRD3
SCHEMBL3821803 0.88 METAP1 (0.69) METAP1THRATHRB
SCHEMBL11730548 0.85 THRA (0.58) METAP1THRATHRB
SCHEMBL6272068 0.80 HTR2C (0.47) METAP1THRATHRBDRD2DRD3
SCHEMBL3827392 0.79 METAP1 (1.00) METAP1THRATHRB
SCHEMBL3820818 0.78 METAP1 (0.72) METAP1THRATHRB
SCHEMBL2175676 0.78 METAP1 (1.00) METAP1
Hydrochloric Acid SCHEMBL5461469 0.77 METAP1 (0.73) METAP1THRATHRB
SCHEMBL8599815 0.77 DRD3 (0.49) METAP1DRD2DRD3HTR1AHTR2A
SCHEMBL20358707 0.77 DRD3 (0.56) METAP1DRD2DRD3HTR1AHTR2A

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.