SCHEMBL6151888

SCHEMBL6151888

CNC(C)c1cc(-n2nccn2)ccc1Oc1ccc(Cl)c(Cl)c1

nearest known ligand 0.65

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 18/20 0.65
HTR2A P28223 17/20 0.65
KCNH2 Q12809 14/20 0.65
CYP2D6 P10635 1/20 0.40
NPBWR1 P48145 1/20 0.39
MCHR1 Q99705 1/20 0.39
SLC6A2 P23975 1/20 0.38
SLC6A3 Q01959 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38

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
SCHEMBL6151886 0.83 HTR2A (0.43) SLC6A4HTR2AKCNH2NPBWR1MCHR1
SCHEMBL6151929 0.82 SLC6A4 (0.60) SLC6A4HTR2AKCNH2CYP2D6SLC6A2
SCHEMBL5836792 0.78 HTR2A (1.00) SLC6A4HTR2AKCNH2CYP2D6
SCHEMBL6151683 0.78 HTR2A (0.65) SLC6A4HTR2AKCNH2
Hydrochloric Acid SCHEMBL7228120 0.77 HTR2A (0.64) SLC6A4HTR2AKCNH2
SCHEMBL6151885 0.76 SLC6A4 (0.57) SLC6A4HTR2AKCNH2SLC6A2SLC6A3
SCHEMBL5837925 0.76 HTR2A (1.00) SLC6A4HTR2AKCNH2CYP2D6SLC6A2
SCHEMBL5837177 0.76 HTR2A (0.70) SLC6A4HTR2AKCNH2CYP2D6
Hydrochloric Acid SCHEMBL6151478 0.76 SLC6A4 (0.56) SLC6A4HTR2AKCNH2SLC6A2SLC6A3
SCHEMBL5836407 0.74 HTR2A (0.67) SLC6A4HTR2AKCNH2CYP2D6

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1220831-B1 BIARYL ETHER DERIVATIVES USEFUL AS MONOAMINE REUPTAKE INHIBITORS PFIZER PROD INC (US) 2005-06-08 EP claimed
US-20040162316-A1 Combination treatment for alcoholism and alcohol dependence PFIZER INC 2004-08-19 US claimed
US-20030130322-A1 Biaryl ether derivative as opiod antagonist PFIZER INC. 2003-07-10 US claimed
EP-1262196-A2 Combination of a monoamine reuptake inhibitor and an opioid antagonist for use in alcoholism and alcohol dependence Pfizer Products Inc. (US) 2002-12-04 EP claimed
EP-1260221-A2 Combination treatment for depression and anxiety Pfizer Products Inc. (US) 2002-11-27 EP claimed
US-6410736-B1 CENTRAL NERVOUS SYSTEM DISORDERS PFIZER INC. 2002-06-25 US claimed
EP-1220831-B1 BIARYL ETHER DERIVATIVES USEFUL AS MONOAMINE REUPTAKE INHIBITORS PFIZER PROD INC (US) 2005-06-08 EP disclosed
US-20040162316-A1 Combination treatment for alcoholism and alcohol dependence PFIZER INC 2004-08-19 US disclosed
US-6596741-B2 Compounds of formula I exhibit activity as serotonin, norepinephrine, and dopamine reuptake inhibitors and can be used in the treatment of central nervous system and other disorders. PFIZER INC 2003-07-22 US disclosed
US-20030130322-A1 Biaryl ether derivative as opiod antagonist PFIZER INC. 2003-07-10 US disclosed
US-20030055038-A1 Novel biaryl ether derivatives useful as monoamine reuptake inhibitors PFIZER INC. 2003-03-20 US disclosed
EP-1262196-A2 Combination of a monoamine reuptake inhibitor and an opioid antagonist for use in alcoholism and alcohol dependence Pfizer Products Inc. (US) 2002-12-04 EP disclosed
EP-1260221-A2 Combination treatment for depression and anxiety Pfizer Products Inc. (US) 2002-11-27 EP disclosed
EP-1220831-A1 BIARYL ETHER DERIVATIVES USEFUL AS MONOAMINE REUPTAKE INHIBITORS Pfizer Products Inc. (US) 2002-07-10 EP disclosed
US-6410736-B1 CENTRAL NERVOUS SYSTEM DISORDERS PFIZER INC. 2002-06-25 US disclosed
WO-2001027068-A1 BIARYL ETHER DERIVATIVES USEFUL AS MONOAMINE REUPTAKE INHIBITORS PFIZER PRODUCTS INC. (US) 2001-04-19 WO 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 (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-20030130322-A1 Biaryl ether derivative as opiod antagonist OPRM1, OPRD1, OPRK1 SLC6A4 40/4885HTR2A 29/4885KCNH2 2000/4885
US-20040162316-A1 Combination treatment for alcoholism and alcohol dependence OPRM1, SLC6A2, OPRK1 SLC6A4 13/4885HTR2A 43/4885KCNH2 1285/4885
US-20030055038-A1 Novel biaryl ether derivatives useful as monoamine reuptake inhibitors SLC6A2, SLC6A3, SLC18A2 SLC6A4 6/4885HTR2A 24/4885KCNH2 1835/4885

“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.