SCHEMBL393401

SCHEMBL393401

CC(=O)N1CCN(CCN2[C@@H]3CC[C@H]2C[C@H](NC(=O)c2nn(C(C)C)c4ccccc24)C3)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
HTR4 Q13639 20/20 1.00

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
SCHEMBL2542098 1.00 HTR4 (1.00) HTR4
SCHEMBL30404126 1.00 HTR4 (1.00) HTR4
SCHEMBL29941552 1.00 HTR4 (1.00) HTR4
SCHEMBL2542097 1.00 HTR4 (1.00) HTR4
Bromide SCHEMBL2538713 0.99 HTR4 (0.98) HTR4
Hydrochloric Acid SCHEMBL2541046 0.99 HTR4 (0.98) HTR4
SCHEMBL23093697 0.92 HTR4 (0.86) HTR4
SCHEMBL23093696 0.92 HTR4 (0.86) HTR4
SCHEMBL23093695 0.92 HTR4 (0.86) HTR4
SCHEMBL2540182 0.88 HTR4 (0.79) HTR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8314128-B2 Aminotetralin compounds as mu opioid receptor antagonists THERAVANCE, INC. (US) 2012-11-20 US disclosed
US-20120088794-A1 AMINOTETRALIN COMPOUNDS AS MU OPIOID RECEPTOR ANTAGONISTS THERAVANCE, INC. (US) 2012-04-12 US disclosed
US-20120088834-A1 CRYSTALLINE FORMS OF A 3-CARBOXYPROPYL-AMINOTETRALIN COMPOUND THERAVANCE, INC. (US) 2012-04-12 US disclosed
US-20120088787-A1 3-CARBOXYPROPYL-AMINOTETRALIN DERIVATIVES AND RELATED COMPOUNDS AS MU OPIOID RECEPTOR ANTAGONISTS THERAVANCE, INC. (US) 2012-04-12 US disclosed
US-8153686-B2 Amino- and amido-aminotetralin derivatives and related compounds as mu opioid receptor antagonists THERAVANCE, INC. (US) 2012-04-10 US disclosed
US-8106232-B2 3-carboxypropyl-aminotetralin derivatives and related compounds as mu opioid receptor antagonists THERAVANCE, INC. (US) 2012-01-31 US disclosed
US-8101794-B2 Crystalline forms of a 3-carboxypropyl-aminotetralin compound THERAVANCE, INC. (US) 2012-01-24 US disclosed
US-8101791-B2 Aminotetralin compounds as mu opioid receptor antagonists THERAVANCE, INC. (US) 2012-01-24 US disclosed
US-8044045-B2 Indazole-carboxamide compounds as 5-HT4 receptor agonists THERAVANCE, INC. (US) 2011-10-25 US disclosed
US-20110184008-A1 CRYSTALLINE FORMS OF AN 8-AZABICYCLO[3.2.1]OCTANE COMPOUND THERAVANCE, INC. (US) 2011-07-28 US disclosed
US-20110144152-A1 DISUBSTITUTED ALKYL-8-AZABICYCLO[3.2.1]OCTANE COMPOUNDS AS MU OPIOID RECEPTOR ANTAGONISTS THERAVANCE, INC. (US) 2011-06-16 US disclosed
US-7947710-B2 Disubstituted alkyl-8-azabicyclo[3.2.1]octane compounds as mu opioid receptor antagonists THERAVANCE, INC. (US) 2011-05-24 US disclosed
US-20110118306-A1 8-AZABICYCLO[3.2.1]OCTYL-2-HYDROXYBENZAMIDE COMPOUNDS AS MU OPIOID RECEPTOR ANTAGONISTS THERAVANCE, INC. (US) 2011-05-19 US disclosed
EP-2001876-B1 8-AZABICYCLOÝ3.2.1¨OCTANE COMPOUNDS AS MU OPIOID RECEPTOR ANTAGONISTS THERAVANCE INC (US) 2011-05-18 EP disclosed
US-7943772-B2 Crystalline forms of an 8-azabicyclo(3.2.1)octane compound THERAVANCE, INC. (US) 2011-05-17 US disclosed
EP-2195314-B1 DISUBSTITUTED ALKYL-8-AZABICYCLO [3.2.1.]OCTANE COMPOUNDS AS MU OPIOID RECEPTOR ANTAGONISTS THERAVANCE INC (US) 2011-03-23 EP 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 (6 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-20110118306-A1 8-AZABICYCLO[3.2.1]OCTYL-2-HYDROXYBENZAMIDE COMPOUNDS AS MU OPIOID RECEPTOR ANTAGONISTS OPRM1, OPRD1, OPRK1 HTR4 124/4885
US-20120088787-A1 3-CARBOXYPROPYL-AMINOTETRALIN DERIVATIVES AND RELATED COMPOUNDS AS MU OPIOID RECEPTOR ANTAGONISTS OPRL1, OPRM1, OPRK1 HTR4 66/4885
US-20110184008-A1 CRYSTALLINE FORMS OF AN 8-AZABICYCLO[3.2.1]OCTANE COMPOUND OPRM1, SIGMAR1, OPRD1 HTR4 199/4885
US-20120088834-A1 CRYSTALLINE FORMS OF A 3-CARBOXYPROPYL-AMINOTETRALIN COMPOUND OPRM1, OPRK1, OPRL1 HTR4 30/4885
US-20110144152-A1 DISUBSTITUTED ALKYL-8-AZABICYCLO[3.2.1]OCTANE COMPOUNDS AS MU OPIOID RECEPTOR ANTAGONISTS OPRM1, OPRD1, OPRK1 HTR4 277/4885
US-20120088794-A1 AMINOTETRALIN COMPOUNDS AS MU OPIOID RECEPTOR ANTAGONISTS OPRL1, OPRM1, OPRK1 HTR4 70/4885

“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.