SCHEMBL6556865

SCHEMBL6556865

Clc1ccccc1CN[C@@H]1CCCN[C@@H]1c1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 18/20 0.68
KDM1A O60341 1/20 0.57
CYP2D6 P10635 1/20 0.53

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
SCHEMBL6556868 1.00 TACR1 (0.68) TACR1KDM1ACYP2D6
SCHEMBL9295032 1.00 TACR1 (0.68) TACR1KDM1ACYP2D6
SCHEMBL6556873 1.00 TACR1 (0.68) TACR1KDM1ACYP2D6
SCHEMBL9295020 1.00 TACR1 (0.68) TACR1KDM1ACYP2D6
SCHEMBL4941050 0.92 KDM1A (0.59) TACR1KDM1A
SCHEMBL4941039 0.92 KDM1A (0.59) TACR1KDM1A
SCHEMBL4941061 0.92 KDM1A (0.59) TACR1KDM1A
SCHEMBL8918350 0.86 TACR1 (0.70) TACR1CYP2D6
SCHEMBL8918340 0.86 TACR1 (0.70) TACR1CYP2D6
SCHEMBL8918358 0.86 TACR1 (0.70) TACR1CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040229911-A1 New pharmaceutical combinations for NOS inhibitors PFIZER INC 2004-11-18 US 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 claimed
EP-0721778-B1 NK-1 receptor antagonists for the treatment of neuronal injury and stroke PFIZER (US) 2004-03-03 EP 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
US-6562335-B1 NK-1 receptor antagonists for prevention of neurogenic inflammation in gene therapy PFIZER, INC. 2003-05-13 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-0854720-B1 NK-1 RECEPTOR ANTAGONISTS FOR PREVENTION OF NEUROGENIC INFLAMMATION IN GENE THERAPY PFIZER (US) 1999-08-04 EP claimed
WO-1999007413-A1 SUBSTANCE P INHIBITORS IN COMBINATION WITH NMDA-BLOCKERS FOR TREATING PAIN ALGOS PHARMACEUTICAL CORPORATION (US) 1999-02-18 WO claimed
EP-0854720-A1 NK-1 RECEPTOR ANTAGONISTS FOR PREVENTION OF NEUROGENIC INFLAMMATION IN GENE THERAPY PFIZER INC. (US) 1998-07-29 EP claimed
EP-0790825-A1 NK-1 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF EYE DISORDERS PFIZER INC. (US) 1997-08-27 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
US-5393762-A Pharmaceutical agents for treatment of emesis PFIZER INC. (US) 1995-02-28 US claimed
EP-0436334-B1 3-Aminopiperidine derivatives and related nitrogen containing heterocycles PFIZER (US) 1994-12-07 EP claimed
EP-0627221-A2 Substance P antagonists for the treatment of emesis PFIZER INC. (US) 1994-12-07 EP claimed
US-5340826-A Pharmaceutical agents for treatment of urinary incontinence PFIZER INC. (US) 1994-08-23 US claimed
EP-0610021-A1 Pharmaceutical agents for treatment of urinary incontinence PFIZER INC. (US) 1994-08-10 EP claimed
US-5232929-A 3-aminopiperidine derivatives and related nitrogen containing heterocycles and pharmaceutical compositions and use PFIZER INC. (US) 1993-08-03 US claimed
WO-1991009844-A1 SUBSTANCE P ANTAGONISTS PFIZER INC. (US) 1991-07-11 WO claimed
EP-0436334-A2 3-Aminopiperidine derivatives and related nitrogen containing heterocycles PFIZER INC. (US) 1991-07-10 EP 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 (2 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-20040229911-A1 New pharmaceutical combinations for NOS inhibitors NOS1, NOS3, NPBWR1 TACR1 190/4885KDM1A 291/4885CYP2D6 1379/4885
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 3/4885KDM1A 652/4885CYP2D6 3618/4885

“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.