SCHEMBL6231318

SCHEMBL6231318

COc1ccc(-c2ncccn2)cc1CNC1CCCNC1c1ccccc1

nearest known ligand 0.81

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 20/20 0.81

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
SCHEMBL6231314 1.00 TACR1 (0.81) TACR1
Hydrochloric Acid SCHEMBL7052869 0.98 TACR1 (0.78) TACR1
Hydrochloric Acid SCHEMBL7052874 0.98 TACR1 (0.78) TACR1
SCHEMBL6232825 0.92 TACR1 (0.77) TACR1
SCHEMBL6231286 0.92 TACR1 (0.77) TACR1
SCHEMBL6556017 0.90 TACR1 (0.87) TACR1
Hydrochloric Acid SCHEMBL7712941 0.90 TACR1 (0.74) TACR1
Hydrochloric Acid SCHEMBL7712939 0.90 TACR1 (0.74) TACR1
SCHEMBL8090256 0.89 TACR1 (1.00) TACR1
Hydrochloric Acid SCHEMBL8541427 0.89 TACR1 (0.85) TACR1

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20010023248-A1 Aminomethylene substituted non-aromatic heterocycles and use as substance P antagonists HOWARD HARRY R (US) 2001-09-20 US claimed
EP-0675886-B1 AMINOMETHYLENE SUBSTITUTED NON-AROMATIC HETEROCYCLES AND USE AS SUBSTANCE P ANTAGONISTS PFIZER (US) 2000-07-05 EP claimed
US-5854262-A Aminomethylene substituted non-aromatic heterocycles and use as substance P antagonists PFIZER INC. (US) 1998-12-29 US claimed
WO-1994013663-A1 AMINOMETHYLENE SUBSTITUTED NON-AROMATIC HETEROCYCLES AND USE AS SUBSTANCE P ANTAGONISTS PFIZER INC. (US) 1994-06-23 WO claimed
EP-1517708-A1 COMBINATION TREATMENT FOR DEPRESSION AND ANXIETY BY NK1 AND NK3 ANTAGONISTS Pfizer Products Inc. (US) 2005-03-30 EP disclosed
EP-1515708-A1 COMBINATIONS OF PDE-V INHIBITORS AND NK1 ANTAGONISTS FOR THE TREATMENT OF DEPRESSION Pfizer Products Inc. (US) 2005-03-23 EP disclosed
US-20040220274-A1 Combination treatment for depression and anxiety PFIZER INC. 2004-11-04 US disclosed
US-20040006135-A1 Combination treatment for depression and anxiety PFIZER INC. 2004-01-08 US disclosed
US-20040001895-A1 Combination treatment for depression and anxiety PFIZER INC. 2004-01-01 US disclosed
WO-2004000355-A1 COMBINATION TREATMENT FOR DEPRESSION AND ANXIETY BY NK1 AND NK3 ANTAGONISTS PFIZER PRODUCTS INC. (US) 2003-12-31 WO disclosed
WO-2003105815-A1 COMBINATION OF PDE-V INHIBITORS AND NK1 ANTAGONISTS FOR THE TREATMENT OF DEPRESSION PFIZER PRODUCTS INC. (US) 2003-12-24 WO disclosed
US-20030162766-A1 Aminomethylene substituted non-aromatic heterocycles and use as substance P antagonists PFIZER INC. 2003-08-28 US disclosed
EP-1186318-A2 Combination, for treating depression and anxiety, containing a 5HT1d receptor antagonist and aCNS penetrant NK-1 receptor antagonist Pfizer Products Inc. (US) 2002-03-13 EP disclosed
US-20010023248-A1 Aminomethylene substituted non-aromatic heterocycles and use as substance P antagonists HOWARD HARRY R (US) 2001-09-20 US disclosed
EP-1099446-A2 Combination treatment for depression and anxiety containing a CNS-penetrant NK-1 receptor antagonist and an antidepressant or anxiolytic agent Pfizer Products Inc. (US) 2001-05-16 EP disclosed
EP-1095655-A2 NK-1 receptor antagonists and eletriptan for the treatment of migraine Pfizer Products Inc. (US) 2001-05-02 EP disclosed
EP-0675886-B1 AMINOMETHYLENE SUBSTITUTED NON-AROMATIC HETEROCYCLES AND USE AS SUBSTANCE P ANTAGONISTS PFIZER (US) 2000-07-05 EP disclosed
US-5854262-A Aminomethylene substituted non-aromatic heterocycles and use as substance P antagonists PFIZER INC. (US) 1998-12-29 US disclosed
EP-0806423-A1 Aminomethylene substituted non-aromatic heterocycles and use as substance p antagonists PFIZER INC. (US) 1997-11-12 EP disclosed
WO-1994013663-A1 AMINOMETHYLENE SUBSTITUTED NON-AROMATIC HETEROCYCLES AND USE AS SUBSTANCE P ANTAGONISTS PFIZER INC. (US) 1994-06-23 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 (5 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-20040006135-A1 Combination treatment for depression and anxiety TACR1, NPSR1, HTR3A TACR1 1/4885
US-20010023248-A1 Aminomethylene substituted non-aromatic heterocycles and use as substance P antagonists NPY1R, OPRK1, OPRL1 TACR1 5/4885
US-20030162766-A1 Aminomethylene substituted non-aromatic heterocycles and use as substance P antagonists NPY1R, OPRK1, TACR1 TACR1 3/4885
US-20040001895-A1 Combination treatment for depression and anxiety TACR1, NPSR1, ADORA1 TACR1 1/4885
US-20040220274-A1 Combination treatment for depression and anxiety TACR1, NPSR1, ADORA1 TACR1 1/4885

“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.