SCHEMBL4908041

SCHEMBL4908041

FC(F)(F)Oc1ccccc1CN[C@H]1CCCN[C@H]1c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 18/20 1.00
CYP2D6 P10635 5/20 0.68
KCNH2 Q12809 1/20 0.68
HTR1A P08908 1/20 0.67
HTR2A P28223 1/20 0.67
HTR2C P28335 1/20 0.67
HRH1 P35367 1/20 0.67
HTR2B P41595 1/20 0.67
SLC6A3 Q01959 1/20 0.67
TMEM97 Q5BJF2 1/20 0.67
SIGMAR1 Q99720 1/20 0.67

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 SCHEMBL4913144 0.99 TACR1 (0.98) TACR1CYP2D6KCNH2HTR1AHTR2A
SCHEMBL9295009 0.89 TACR1 (0.80) TACR1CYP2D6KCNH2HTR1AHTR2A
SCHEMBL9295014 0.89 TACR1 (0.80) TACR1CYP2D6KCNH2HTR1AHTR2A
SCHEMBL9295004 0.89 TACR1 (0.80) TACR1CYP2D6KCNH2HTR1AHTR2A
SCHEMBL31401610 0.87 TACR1 (0.77) TACR1CYP2D6KCNH2HTR1AHTR2A
SCHEMBL31401574 0.87 TACR1 (0.77) TACR1CYP2D6KCNH2HTR1AHTR2A
SCHEMBL4917005 0.87 TACR1 (0.77) TACR1CYP2D6KCNH2HTR1AHTR2A
Hydrochloric Acid SCHEMBL4914589 0.86 TACR1 (0.75) TACR1CYP2D6KCNH2HTR1AHTR2A
SCHEMBL6555202 0.86 TACR1 (0.74) TACR1CYP2D6KCNH2HTR1AHTR2A
SCHEMBL4916022 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 34 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20040063649-A1 Azithromycin combination for emesis control in mammals PFIZER INC 2004-04-01 US claimed
US-20030199540-A1 Fluoroalkyoxybenzylamino derivatives of nitrogen containing heterocycles LOWE JOHN ADAMS (US) 2003-10-23 US claimed
JP-2003523941-A 2003-08-12 JP claimed
US-20030114439-A1 Pharmaceutical uses for fluoroalkoxybenzylamino derivatives of nitrogen containing heterocycles PFIZER INC. 2003-06-19 US claimed
US-20030018049-A1 Azithromycin combination for emesis control in mammals GODEK DENNIS M (US) 2003-01-23 US claimed
US-20020035147-A1 Pharmaceutical uses for fluoroalkoxybenzylamino derivatives of nitrogen containing heterocycles PFIZER INC. 2002-03-21 US claimed
US-20020016301-A1 Azithromycin combination for emesis control in mammals GODEK DENNIS M (US) 2002-02-07 US claimed
EP-1172106-A2 Use of fluoroalkoxybenzylamino derivatives of nitrogen containing heterocycles as substance P receptor antagonists Pfizer Products Inc. (US) 2002-01-16 EP claimed
US-6329394-B1 5HT3 ANTAGONIST AND NK1 RECEPTORS SUBSTANCE P ANTAGONISTS AND OTHER NEUROKININ ANTAGONISTS, IN THE TREATMENT OF EMESIS. GLAXO GROUP LIMITED (GB) 2001-12-11 US claimed
WO-2000071107-A2 NEW PHARMACEUTICAL COMBINATIONS FOR NOS INHIBITORS PFIZER PRODUCTS INC. (US) 2000-11-30 WO claimed
EP-1027892-A2 Azithromycin combination for emesis control in dogs Pfizer Products Inc. (US) 2000-08-16 EP claimed
EP-0854720-B1 NK-1 RECEPTOR ANTAGONISTS FOR PREVENTION OF NEUROGENIC INFLAMMATION IN GENE THERAPY PFIZER (US) 1999-08-04 EP claimed
US-5773450-A ANTIINFLAMMATORY AGENTS, CENTRAL NERVOUS SYSTEM DISORDERS PFIZER INC. (US) 1998-06-30 US claimed
EP-0773026-A2 NK-1 receptor antagonists for the treatment of cancer PFIZER INC. (US) 1997-05-14 EP claimed
EP-0589924-B1 FLUOROALKOXYBENZYLAMINO DERIVATIVES OF NITROGEN CONTAINING HETEROCYCLES PFIZER (US) 1996-09-04 EP claimed
EP-0589924-A1 FLUOROALKOXYBENZYLAMINO DERIVATIVES OF NITROGEN CONTAINING HETEROCYCLES. PFIZER (US) 1994-04-06 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 (6 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-20030199540-A1 Fluoroalkyoxybenzylamino derivatives of nitrogen containing heterocycles FPR1, OPRK1, CNR1 TACR1 517/4885CYP2D6 343/4885KCNH2 317/4885
US-20080132538-A1 Pharmaceutical uses for fluoroalkoxybenzylamino derivatives of nitrogen containing heterocycles NMUR2, NMUR1, NMBR TACR1 41/4885CYP2D6 723/4885KCNH2 331/4885
US-20020035147-A1 Pharmaceutical uses for fluoroalkoxybenzylamino derivatives of nitrogen containing heterocycles AQP4, NAT1, CNR1 TACR1 212/4885CYP2D6 61/4885KCNH2 627/4885
US-20030114439-A1 Pharmaceutical uses for fluoroalkoxybenzylamino derivatives of nitrogen containing heterocycles AQP4, NAT1, CNR1 TACR1 212/4885CYP2D6 61/4885KCNH2 627/4885
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.