SCHEMBL6557034

SCHEMBL6557034

COc1ccc(NC(=O)C(C)C)cc1CN[C@H]1CCCN[C@H]1c1ccccc1

nearest known ligand 0.70

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 19/20 0.70
CYP2D6 P10635 4/20 0.65
KCNH2 Q12809 1/20 0.62

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 SCHEMBL7475819 0.98 TACR1 (0.68) TACR1CYP2D6KCNH2
SCHEMBL6554849 0.92 TACR1 (0.69) TACR1CYP2D6
Hydrochloric Acid SCHEMBL7477221 0.91 TACR1 (0.68) TACR1CYP2D6
SCHEMBL6554450 0.88 TACR1 (0.74) TACR1CYP2D6KCNH2
Hydrochloric Acid SCHEMBL7475900 0.87 TACR1 (0.73) TACR1CYP2D6KCNH2
SCHEMBL6555129 0.86 TACR1 (0.77) TACR1CYP2D6KCNH2
SCHEMBL6557038 0.85 TACR1 (0.71) TACR1CYP2D6KCNH2
Hydrochloric Acid SCHEMBL7818974 0.85 TACR1 (0.76) TACR1CYP2D6KCNH2
Hydrochloric Acid SCHEMBL7475823 0.84 TACR1 (0.68) TACR1CYP2D6KCNH2
SCHEMBL7881421 0.83 TACR1 (0.84) TACR1CYP2D6KCNH2

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 39 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
US-6194436-B1 THERAPY FOR LUNG CANCER PFIZER INC. 2001-02-27 US claimed
WO-2000071107-A2 NEW PHARMACEUTICAL COMBINATIONS FOR NOS INHIBITORS PFIZER PRODUCTS INC. (US) 2000-11-30 WO claimed
EP-0854720-B1 NK-1 RECEPTOR ANTAGONISTS FOR PREVENTION OF NEUROGENIC INFLAMMATION IN GENE THERAPY PFIZER (US) 1999-08-04 EP claimed
EP-0790825-A1 NK-1 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF EYE DISORDERS PFIZER INC. (US) 1997-08-27 EP claimed
EP-0773026-A2 NK-1 receptor antagonists for the treatment of cancer PFIZER INC. (US) 1997-05-14 EP claimed
EP-0769300-A2 Antiemetic composition containing an NK-1 receptor antagonists PFIZER INC. (US) 1997-04-23 EP 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-0659409-A2 Substance 1 antagonists for the inhibition of angiogenesis PFIZER INC. (US) 1995-06-28 EP 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

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.