SCHEMBL6151783

SCHEMBL6151783

CC(CN)c1ccc(-n2cncn2)cc1Oc1ccc(Cl)c(Cl)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 11/20 0.40
HTR2A P28223 10/20 0.40
KCNH2 Q12809 9/20 0.40
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
KMT2A Q03164 1/20 0.38
SLC6A2 P23975 2/20 0.37
SLC6A3 Q01959 2/20 0.37
NPBWR1 P48145 1/20 0.36
MCHR1 Q99705 1/20 0.36
S1PR1 P21453 2/20 0.35
ICAM1 P05362 1/20 0.34
SELE P16581 1/20 0.34
VCAM1 P19320 1/20 0.34
S1PR2 O95136 1/20 0.33
S1PR4 O95977 1/20 0.33

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
SCHEMBL6151786 0.84 SLC6A4 (0.60) SLC6A4HTR2AKCNH2CYP1A2CYP2D6
SCHEMBL6152330 0.74 SLC6A4 (0.60) SLC6A4HTR2AKCNH2SLC6A2SLC6A3
SCHEMBL6151886 0.74 HTR2A (0.43) SLC6A4HTR2AKCNH2SLC6A2SLC6A3
SCHEMBL5837924 0.73 HTR2A (0.64) SLC6A4HTR2AKCNH2CYP2D6CYP2C19
SCHEMBL6151926 0.73 NOTUM (0.51) SLC6A4HTR2AKCNH2SLC6A2SLC6A3
SCHEMBL11993163 0.69 ALDH1A1 (0.42) SLC6A4CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL5836789 0.68 HTR2A (0.67) SLC6A4HTR2AKCNH2SLC6A2SLC6A3
SCHEMBL5837170 0.66 SLC6A4 (0.46) SLC6A4HTR2AKCNH2SLC6A2SLC6A3
SCHEMBL5836402 0.65 HTR2A (0.48) SLC6A4HTR2AKCNH2
SCHEMBL22660826 0.64 FFAR1 (0.42) CYP2C9MEN1ALDH1A1KMT2A

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 15 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-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 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.