SCHEMBL4917427

SCHEMBL4917427

CCC(C)c1ccc(OC(F)(F)F)c(CNC2CCCNC2c2ccccc2)c1

nearest known ligand 0.71

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 19/20 0.71
CYP2D6 P10635 5/20 0.70
KCNH2 Q12809 1/20 0.67
HTR1A P08908 1/20 0.66
HTR2A P28223 1/20 0.66
HTR2C P28335 1/20 0.66
HRH1 P35367 1/20 0.66
HTR2B P41595 1/20 0.66
SLC6A3 Q01959 1/20 0.66
TMEM97 Q5BJF2 1/20 0.66
SIGMAR1 Q99720 1/20 0.66

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
SCHEMBL4917362 0.92 TACR1 (0.74) TACR1CYP2D6KCNH2HTR1AHTR2A
SCHEMBL6554762 0.90 TACR1 (0.77) TACR1CYP2D6KCNH2HTR1AHTR2A
SCHEMBL4916022 0.86 TACR1 (0.74) TACR1CYP2D6KCNH2HTR1AHTR2A
SCHEMBL4915629 0.84 TACR1 (0.72) TACR1CYP2D6KCNH2HTR1AHTR2A
SCHEMBL4916174 0.84 TACR1 (0.80) TACR1CYP2D6KCNH2HTR1AHTR2A
SCHEMBL6696862 0.84 TACR1 (0.74) TACR1CYP2D6KCNH2HTR1AHTR2A
SCHEMBL6555202 0.84 TACR1 (0.74) TACR1CYP2D6KCNH2HTR1AHTR2A
SCHEMBL31401574 0.84 TACR1 (0.77) TACR1CYP2D6KCNH2HTR1AHTR2A
SCHEMBL31401610 0.84 TACR1 (0.77) TACR1CYP2D6KCNH2HTR1AHTR2A
SCHEMBL7822049 0.84 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 34 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1027892-B1 Azithromycin combination for emesis control in dogs PFIZER PROD INC (US) 2005-08-17 EP claimed
CN-1525858-A A pharmaceutical composition comprising a nicotinic receptor partial antagonist and an antiemetic agent for modulating cholinergic function �Ʒ� 2004-09-01 CN claimed
US-20040167200-A1 Pharmaceutical composition and method of modulating cholinergic function in a mammal PFIZER INC. 2004-08-26 US 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
WO-2003005998-A2 A PHARMACEUTICAL COMPOSITION COMPRISING A NICOTINIC RECEPTOR PARTIAL ANTAGONIST AND AN ANTIEMETIC AGENT OF MODULATING CHOLINERGIC FUNCTION PFIZER PRODUCTS INC. (US) 2003-01-23 WO claimed
US-20030018049-A1 Azithromycin combination for emesis control in mammals GODEK DENNIS M (US) 2003-01-23 US claimed
US-20030008892-A1 Pharmaceutical composition and method of modulating cholinergic function in a mammal PFIZER INC. 2003-01-09 US claimed
US-20020016301-A1 Azithromycin combination for emesis control in mammals GODEK DENNIS M (US) 2002-02-07 US claimed
EP-1027892-A2 Azithromycin combination for emesis control in dogs Pfizer Products Inc. (US) 2000-08-16 EP claimed
US-20080132538-A1 Pharmaceutical uses for fluoroalkoxybenzylamino derivatives of nitrogen containing heterocycles PFIZER INC 2008-06-05 US disclosed
US-20050256162-A1 Fluoroalkoxybenzylamino derivatives of nitrogen containing heterocycles PFIZER INC 2005-11-17 US disclosed
EP-1027892-B1 Azithromycin combination for emesis control in dogs PFIZER PROD INC (US) 2005-08-17 EP disclosed
EP-1562908-A1 QUINOLINE DERIVATIVES Pfizer Products Inc. (US) 2005-08-17 EP disclosed
US-6894062-B1 Quinoline derivatives PFIZER INC. (US) 2005-05-17 US disclosed
US-5773450-A ANTIINFLAMMATORY AGENTS, CENTRAL NERVOUS SYSTEM DISORDERS PFIZER INC. (US) 1998-06-30 US disclosed
US-5744480-A ANTIINFLAMMATORY AGENTS, NERVOUS SYSTEM DISORDERS PFIZER INC. (US) 1998-04-28 US disclosed
EP-0589924-B1 FLUOROALKOXYBENZYLAMINO DERIVATIVES OF NITROGEN CONTAINING HETEROCYCLES PFIZER (US) 1996-09-04 EP disclosed
WO-1993000331-A1 FLUOROALKOXYBENZYLAMINO DERIVATIVES OF NITROGEN CONTAINING HETEROCYCLES PFIZER INC. (US) 1993-01-07 WO disclosed
CN-1067655-A FLUOROALKOXYBENZYLAMINO DERIVATIVES OF NITROGEN CONTAINING HETEROCYCLES PFIZER (US) 1993-01-06 CN 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 (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-20080132538-A1 Pharmaceutical uses for fluoroalkoxybenzylamino derivatives of nitrogen containing heterocycles NMUR2, NMUR1, NMBR TACR1 41/4885CYP2D6 723/4885KCNH2 331/4885
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.