SCHEMBL6555129

SCHEMBL6555129

CNc1ccc(OC)c(CN[C@H]2CCCN[C@H]2c2ccccc2)c1

nearest known ligand 0.77

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 19/20 0.77
CYP2D6 P10635 4/20 0.69
KCNH2 Q12809 1/20 0.69
HTR1A P08908 1/20 0.68
HTR2A P28223 1/20 0.68
HTR2C P28335 1/20 0.68
HRH1 P35367 1/20 0.68
HTR2B P41595 1/20 0.68
SLC6A3 Q01959 1/20 0.68
TMEM97 Q5BJF2 1/20 0.68
SIGMAR1 Q99720 1/20 0.68

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 SCHEMBL7818974 0.99 TACR1 (0.76) TACR1CYP2D6KCNH2HTR1AHTR2A
SCHEMBL6554450 0.90 TACR1 (0.74) TACR1CYP2D6KCNH2HTR1AHTR2A
SCHEMBL6556858 0.89 TACR1 (0.76) TACR1CYP2D6
Hydrochloric Acid SCHEMBL7475900 0.89 TACR1 (0.73) TACR1CYP2D6KCNH2HTR1AHTR2A
SCHEMBL6555202 0.88 TACR1 (0.74) TACR1CYP2D6KCNH2HTR1AHTR2A
Hydrochloric Acid SCHEMBL7474243 0.88 TACR1 (0.74) TACR1CYP2D6HTR1AHTR2AHTR2C
SCHEMBL6554698 0.87 TACR1 (1.00) TACR1CYP2D6KCNH2HTR1AHTR2A
SCHEMBL6554707 0.87 TACR1 (1.00) TACR1CYP2D6KCNH2HTR1AHTR2A
SCHEMBL8872819 0.87 TACR1 (1.00) TACR1CYP2D6KCNH2HTR1AHTR2A
SCHEMBL6555223 0.87 TACR1 (0.80) TACR1CYP2D6KCNH2HTR1AHTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1411946-A1 USE OF NK-1 RECEPTOR ANTAGONISTS TO MODIFY UNWANTED BEHAVIOR IN DOGS, CATS AND HORSES Pfizer Products Inc. (US) 2004-04-28 EP claimed
EP-0721778-B1 NK-1 receptor antagonists for the treatment of neuronal injury and stroke PFIZER (US) 2004-03-03 EP claimed
JP-2003523941-A 2003-08-12 JP claimed
US-20030139443-A1 Use of tachykinin antagonists, including NK-1 receptor antagonists, to modify unwanted behavior in dogs, cats and horses BRONK BRIAN SCOTT (US) 2003-07-24 US claimed
WO-2003009848-A1 USE OF NK-1 RECEPTOR ANTAGONISTS TO MODIFY UNWANTED BEHAVIOR IN DOGS, CATS AND HORSES PFIZER PRODUCTS INC. (US) 2003-02-06 WO claimed
EP-1209157-A1 Heteroarylamino and heteroarylsulfonamido substituted 3-benzylaminomethyl piperidines and related compounds PFIZER INC. (US) 2002-05-29 EP claimed
EP-1178784-A1 NEW PHARMACEUTICAL COMBINATIONS FOR NOS INHIBITORS Pfizer Products Inc. (US) 2002-02-13 EP claimed
WO-2000071107-A2 NEW PHARMACEUTICAL COMBINATIONS FOR NOS INHIBITORS PFIZER PRODUCTS INC. (US) 2000-11-30 WO claimed
EP-0790825-A1 NK-1 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF EYE DISORDERS PFIZER INC. (US) 1997-08-27 EP claimed
US-5576317-A NK-1 receptor antagonists and 5HT3 receptor antagonists for the treatment of emesis PFIZER INC. (US) 1996-11-19 US claimed
EP-0721778-A2 NK-1 receptor antagonists for the treatment of neuronal injury and stroke PFIZER INC. (US) 1996-07-17 EP claimed
EP-0715855-A2 NK-1 receptor antagonists and 5HT3 receptor antagonists for the treatment of emesis PFIZER INC. (US) 1996-06-12 EP claimed
WO-1996014845-A1 NK-1 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF EYE DISORDERS PFIZER INC. (US) 1996-05-23 WO claimed
EP-0655246-A1 Substance P antagonists for the treatment of disorders caused by helicobacter pylori or other spiral urease-positive gram-negative bacteria PFIZER INC. (US) 1995-05-31 EP claimed
EP-0653208-A2 Pharmaceutical agents for treatment or prevention of sunburn PFIZER INC. (US) 1995-05-17 EP claimed
WO-1995007908-A1 HETEROARYLAMINO AND HETEROARYLSULFONAMIDO SUBSTITUTED 3-BENZYLAMINOMETHYL PIPERIDINES AND RELATED COMPOUNDS PFIZER INC. (US) 1995-03-23 WO claimed
EP-1411946-A1 USE OF NK-1 RECEPTOR ANTAGONISTS TO MODIFY UNWANTED BEHAVIOR IN DOGS, CATS AND HORSES Pfizer Products Inc. (US) 2004-04-28 EP disclosed
EP-0721778-B1 NK-1 receptor antagonists for the treatment of neuronal injury and stroke PFIZER (US) 2004-03-03 EP disclosed
EP-0653208-A2 Pharmaceutical agents for treatment or prevention of sunburn PFIZER INC. (US) 1995-05-17 EP disclosed
WO-1995007908-A1 HETEROARYLAMINO AND HETEROARYLSULFONAMIDO SUBSTITUTED 3-BENZYLAMINOMETHYL PIPERIDINES AND RELATED COMPOUNDS PFIZER INC. (US) 1995-03-23 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 (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-20030139443-A1 Use of tachykinin antagonists, including NK-1 receptor antagonists, to modify unwanted behavior in dogs, cats and horses NPSR1, NTSR1, TACR1 TACR1 3/4885CYP2D6 3618/4885KCNH2 510/4885

“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.