SCHEMBL4916174

SCHEMBL4916174

CC(C)(C)c1ccc(OC(F)(F)F)c(CN[C@H]2CCCN[C@H]2c2ccccc2)c1

nearest known ligand 0.80

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 19/20 0.80
CYP2D6 P10635 5/20 0.72
KCNH2 Q12809 1/20 0.70
HTR1A P08908 1/20 0.69
HTR2A P28223 1/20 0.69
HTR2C P28335 1/20 0.69
HRH1 P35367 1/20 0.69
HTR2B P41595 1/20 0.69
SLC6A3 Q01959 1/20 0.69
TMEM97 Q5BJF2 1/20 0.69
SIGMAR1 Q99720 1/20 0.69

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 SCHEMBL27365672 0.99 TACR1 (0.79) TACR1CYP2D6KCNH2HTR1AHTR2A
Hydrochloric Acid SCHEMBL4912523 0.99 TACR1 (0.79) TACR1CYP2D6KCNH2HTR1AHTR2A
SCHEMBL6696862 0.94 TACR1 (0.74) TACR1CYP2D6KCNH2HTR1AHTR2A
Hydrochloric Acid SCHEMBL7139569 0.93 TACR1 (0.73) TACR1CYP2D6KCNH2HTR1AHTR2A
SCHEMBL6554836 0.89 TACR1 (1.00) TACR1CYP2D6KCNH2HTR1AHTR2A
SCHEMBL6701914 0.88 TACR1 (0.79) TACR1CYP2D6KCNH2HTR1AHTR2A
Hydrochloric Acid SCHEMBL4906990 0.87 TACR1 (0.78) TACR1CYP2D6KCNH2HTR1AHTR2A
SCHEMBL4916022 0.86 TACR1 (0.74) TACR1CYP2D6KCNH2HTR1AHTR2A
SCHEMBL9295011 0.86 TACR1 (0.80) TACR1CYP2D6KCNH2
SCHEMBL4917362 0.86 TACR1 (0.74) 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 101 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-7110850-B2 マツダ株式会社 2022-08-02 JP claimed
US-20080132538-A1 Pharmaceutical uses for fluoroalkoxybenzylamino derivatives of nitrogen containing heterocycles PFIZER INC 2008-06-05 US claimed
US-20050256162-A1 Fluoroalkoxybenzylamino derivatives of nitrogen containing heterocycles PFIZER INC 2005-11-17 US claimed
EP-1027892-B1 Azithromycin combination for emesis control in dogs PFIZER PROD INC (US) 2005-08-17 EP claimed
US-20040229911-A1 New pharmaceutical combinations for NOS inhibitors PFIZER INC 2004-11-18 US claimed
US-20040167200-A1 Pharmaceutical composition and method of modulating cholinergic function in a mammal PFIZER INC. 2004-08-26 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-1404320-A2 A PHARMACEUTICAL COMPOSITION COMPRISING A NICOTINIC RECEPTOR PARTIAL ANTAGONIST AND AN ANTIEMETIC AGENT FOR MODULATING CHOLINERGIC FUNCTION Pfizer Products Inc. (US) 2004-04-07 EP claimed
US-20040063649-A1 Azithromycin combination for emesis control in mammals PFIZER INC 2004-04-01 US claimed
EP-0721778-B1 NK-1 receptor antagonists for the treatment of neuronal injury and stroke PFIZER (US) 2004-03-03 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
US-5393762-A Pharmaceutical agents for treatment of emesis PFIZER INC. (US) 1995-02-28 US 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
EP-0589924-A1 FLUOROALKOXYBENZYLAMINO DERIVATIVES OF NITROGEN CONTAINING HETEROCYCLES. PFIZER (US) 1994-04-06 EP claimed
WO-1993000331-A1 FLUOROALKOXYBENZYLAMINO DERIVATIVES OF NITROGEN CONTAINING HETEROCYCLES PFIZER INC. (US) 1993-01-07 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 (3 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-20080132538-A1 Pharmaceutical uses for fluoroalkoxybenzylamino derivatives of nitrogen containing heterocycles NMUR2, NMUR1, NMBR TACR1 41/4885CYP2D6 723/4885KCNH2 331/4885
US-20040229911-A1 New pharmaceutical combinations for NOS inhibitors NOS1, NOS3, NPBWR1 TACR1 190/4885CYP2D6 1379/4885KCNH2 992/4885
US-20050256162-A1 Fluoroalkoxybenzylamino derivatives of nitrogen containing heterocycles FPR3, CX3CR1, FPR1 TACR1 564/4885CYP2D6 319/4885KCNH2 353/4885

“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.