SCHEMBL6151886

SCHEMBL6151886

CC(CN)c1cc(-n2nccn2)ccc1Oc1ccc(Cl)c(Cl)c1

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 19/20 0.43
SLC6A4 P31645 19/20 0.43
KCNH2 Q12809 17/20 0.43
NPBWR1 P48145 1/20 0.39
MCHR1 Q99705 1/20 0.39
SLC6A2 P23975 1/20 0.35
SLC6A3 Q01959 1/20 0.35

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
SCHEMBL6151888 0.83 SLC6A4 (0.65) HTR2ASLC6A4KCNH2NPBWR1MCHR1
SCHEMBL6151926 0.83 NOTUM (0.51) HTR2ASLC6A4KCNH2NPBWR1MCHR1
SCHEMBL5836789 0.78 HTR2A (0.67) HTR2ASLC6A4KCNH2SLC6A2SLC6A3
SCHEMBL5837924 0.76 HTR2A (0.64) HTR2ASLC6A4KCNH2SLC6A2SLC6A3
SCHEMBL5837170 0.76 SLC6A4 (0.46) HTR2ASLC6A4KCNH2SLC6A2SLC6A3
SCHEMBL5836402 0.74 HTR2A (0.48) HTR2ASLC6A4KCNH2
SCHEMBL6151683 0.74 HTR2A (0.65) HTR2ASLC6A4KCNH2
SCHEMBL6151783 0.74 SLC6A4 (0.40) HTR2ASLC6A4KCNH2NPBWR1MCHR1
SCHEMBL6151864 0.74 HTR2A (0.40) HTR2ASLC6A4KCNH2
Hydrochloric Acid SCHEMBL7228120 0.74 HTR2A (0.64) HTR2ASLC6A4KCNH2

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 HTR2A 29/4885SLC6A4 40/4885KCNH2 2000/4885
US-20040162316-A1 Combination treatment for alcoholism and alcohol dependence OPRM1, SLC6A2, OPRK1 HTR2A 43/4885SLC6A4 13/4885KCNH2 1285/4885
US-20030055038-A1 Novel biaryl ether derivatives useful as monoamine reuptake inhibitors SLC6A2, SLC6A3, SLC18A2 HTR2A 24/4885SLC6A4 6/4885KCNH2 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.