SCHEMBL6151967

SCHEMBL6151967

CNC(C)c1cc([N+](=O)[O-])ccc1Oc1ccc(Cl)c(Cl)c1

nearest known ligand 0.66

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 9/20 0.66
SLC6A4 P31645 9/20 0.66
KCNH2 Q12809 8/20 0.66
PDE7A Q13946 1/20 0.47
HSD17B10 Q99714 1/20 0.47
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
GAA P10253 1/20 0.46
PKM P14618 1/20 0.46
KDM4E B2RXH2 2/20 0.43
TBXA2R P21731 1/20 0.42
ALDH1A1 P00352 2/20 0.42
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
CYP2D6 P10635 1/20 0.41

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
SCHEMBL6151964 0.82 PDE7A (0.49) HTR2ASLC6A4KCNH2PDE7AHSD17B10
SCHEMBL5836407 0.80 HTR2A (0.67) HTR2ASLC6A4KCNH2CYP2D6
SCHEMBL7515248 0.79 TBXA2R (0.47) HTR2ASLC6A4KCNH2PDE7AMEN1
SCHEMBL7515253 0.79 HTR2A (0.47) HTR2ASLC6A4KCNH2PDE7AHSD17B10
SCHEMBL5836792 0.79 HTR2A (1.00) HTR2ASLC6A4KCNH2CYP2D6
SCHEMBL13860469 0.77 HSD17B10 (0.54) HTR2ASLC6A4KCNH2PDE7AHSD17B10
SCHEMBL6153137 0.77 HTR2A (0.67) HTR2ASLC6A4KCNH2
SCHEMBL5837925 0.77 HTR2A (1.00) HTR2ASLC6A4KCNH2CYP2D6
SCHEMBL5837177 0.77 HTR2A (0.70) HTR2ASLC6A4KCNH2CYP2D6
SCHEMBL5836409 0.76 HTR2A (0.62) 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 6 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 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-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 (1 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-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.