SCHEMBL6151926

SCHEMBL6151926

CC(CN)c1cc(-n2ccnn2)ccc1Oc1ccc(Cl)c(Cl)c1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 8/20 0.51
SLC6A4 P31645 10/20 0.40
HTR2A P28223 9/20 0.40
KCNH2 Q12809 8/20 0.40
CYP19A1 P11511 1/20 0.39
SLC6A2 P23975 1/20 0.37
SLC6A3 Q01959 1/20 0.37
NPBWR1 P48145 1/20 0.34
MCHR1 Q99705 1/20 0.34

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
SCHEMBL6151929 0.84 SLC6A4 (0.60) NOTUMSLC6A4HTR2AKCNH2CYP19A1
SCHEMBL6151886 0.83 HTR2A (0.43) SLC6A4HTR2AKCNH2SLC6A2SLC6A3
SCHEMBL6151653 0.77 HTR2A (0.60) NOTUMSLC6A4HTR2AKCNH2
Hydrochloric Acid SCHEMBL7237341 0.76 HTR2A (0.59) NOTUMSLC6A4HTR2AKCNH2
SCHEMBL5836789 0.75 HTR2A (0.67) SLC6A4HTR2AKCNH2SLC6A2SLC6A3
SCHEMBL5837924 0.73 HTR2A (0.64) SLC6A4HTR2AKCNH2SLC6A2SLC6A3
SCHEMBL5837170 0.73 SLC6A4 (0.46) SLC6A4HTR2AKCNH2SLC6A2SLC6A3
SCHEMBL6151783 0.73 SLC6A4 (0.40) SLC6A4HTR2AKCNH2SLC6A2SLC6A3
SCHEMBL5836402 0.71 HTR2A (0.48) SLC6A4HTR2AKCNH2
SCHEMBL6151864 0.71 HTR2A (0.40) SLC6A4HTR2AKCNH2

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
EP-1220831-A1 BIARYL ETHER DERIVATIVES USEFUL AS MONOAMINE REUPTAKE INHIBITORS Pfizer Products Inc. (US) 2002-07-10 EP claimed
US-6410736-B1 CENTRAL NERVOUS SYSTEM DISORDERS PFIZER INC. 2002-06-25 US claimed
WO-2001027068-A1 BIARYL ETHER DERIVATIVES USEFUL AS MONOAMINE REUPTAKE INHIBITORS PFIZER PRODUCTS INC. (US) 2001-04-19 WO 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
US-6410736-B1 CENTRAL NERVOUS SYSTEM DISORDERS PFIZER INC. 2002-06-25 US 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 NOTUM 1542/4885SLC6A4 40/4885HTR2A 29/4885
US-20040162316-A1 Combination treatment for alcoholism and alcohol dependence OPRM1, SLC6A2, OPRK1 NOTUM 1460/4885SLC6A4 13/4885HTR2A 43/4885
US-20030055038-A1 Novel biaryl ether derivatives useful as monoamine reuptake inhibitors SLC6A2, SLC6A3, SLC18A2 NOTUM 1358/4885SLC6A4 6/4885HTR2A 24/4885

“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.