SCHEMBL3822940

SCHEMBL3822940

CN(C)CC1CCCc2ccccc2C1=O

nearest known ligand 0.83

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
METAP1 P53582 5/20 0.68
ACHE P22303 1/20 0.52
SIGMAR1 Q99720 1/20 0.50
HTR6 P50406 1/20 0.48
HTR7 P34969 2/20 0.47
CYP19A1 P11511 1/20 0.46

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 SCHEMBL2126669 0.98 METAP1 (0.68) METAP1ACHESIGMAR1HTR6
SCHEMBL8003063 0.91 METAP1 (0.71) METAP1ACHESIGMAR1CYP19A1
SCHEMBL2125675 0.91 METAP1 (0.71) METAP1ACHESIGMAR1CYP19A1
Hydrochloric Acid SCHEMBL2125507 0.89 METAP1 (0.72) METAP1CYP19A1
SCHEMBL7586745 0.84 METAP1 (0.48) METAP1ACHESIGMAR1HTR7CYP19A1
SCHEMBL15700140 0.83 ACHE (0.56) METAP1ACHESIGMAR1HTR7CYP19A1
SCHEMBL7314737 0.81 ACHE (0.49) METAP1ACHESIGMAR1HTR7CYP19A1
SCHEMBL2175676 0.81 METAP1 (1.00) METAP1ACHECYP19A1
Hydrochloric Acid SCHEMBL9426039 0.80 METAP1 (0.49) METAP1ACHESIGMAR1HTR7CYP19A1
Hydrochloric Acid SCHEMBL2124625 0.80 METAP1 (1.00) METAP1ACHE

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 4249/4885ACHE 134/4885SIGMAR1 63/4885

“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.