SCHEMBL6554835

SCHEMBL6554835

COc1ccc2ccccc2c1CNC1CCCNC1c1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 18/20 0.66
KDM1A O60341 1/20 0.64
MAOA P21397 1/20 0.64
CYP2D6 P10635 4/20 0.57
KCNH2 Q12809 1/20 0.57
HTR1A P08908 1/20 0.56
HTR2A P28223 1/20 0.56
HTR2C P28335 1/20 0.56
HRH1 P35367 1/20 0.56
HTR2B P41595 1/20 0.56
SLC6A3 Q01959 1/20 0.56
TMEM97 Q5BJF2 1/20 0.56
SIGMAR1 Q99720 1/20 0.56

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
SCHEMBL6554842 1.00 TACR1 (0.66) TACR1KDM1AMAOACYP2D6KCNH2
SCHEMBL6554828 1.00 TACR1 (0.66) TACR1KDM1AMAOACYP2D6KCNH2
SCHEMBL4938744 0.83 KDM1A (0.53) TACR1KDM1AMAOA
SCHEMBL4938731 0.83 KDM1A (0.53) TACR1KDM1AMAOA
SCHEMBL4938723 0.83 KDM1A (0.53) TACR1KDM1AMAOA
SCHEMBL6252298 0.80 TACR1 (0.59) TACR1CYP2D6KCNH2HTR1AHTR2A
SCHEMBL6252302 0.80 TACR1 (0.59) TACR1CYP2D6KCNH2HTR1AHTR2A
Cp-99994 SCHEMBL6827944 0.80 TACR1 (1.00) TACR1CYP2D6KCNH2HTR1AHTR2A
Cp-99994 SCHEMBL9295413 0.80 TACR1 (1.00) TACR1CYP2D6KCNH2HTR1AHTR2A
Cp-99994 SCHEMBL14513344 0.80 TACR1 (1.00) 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 67 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
CN-1529600-A Use of NK-1-receptor antagonists tomodify unwanted behavior indogs, casts and horses �Ʒ� 2004-09-15 CN 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
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
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-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
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
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
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 291/4885MAOA 216/4885
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 652/4885MAOA 620/4885

“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.