SCHEMBL7107218

SCHEMBL7107218

CN(Cc1cc([N+](=O)[O-])ccc1Oc1ccc(Cl)c(Cl)c1)C(=O)OC(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 7/20 0.46
SLC6A4 P31645 7/20 0.46
TBXA2R P21731 4/20 0.46
KCNH2 Q12809 5/20 0.46
SLC6A2 P23975 1/20 0.46
SLC6A3 Q01959 1/20 0.46
ALDH1A1 P00352 2/20 0.45
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
GAA P10253 1/20 0.43
PKM P14618 1/20 0.43
LMNA P02545 1/20 0.42
HSP90AA1 P07900 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
PDE7A Q13946 1/20 0.41
FAAH O00519 1/20 0.39
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL8164140 0.87 KMT2A (0.44) ALDH1A1MEN1KMT2ALMNANPSR1
SCHEMBL7454203 0.86 HTR2A (0.50) HTR2ASLC6A4TBXA2RKCNH2SLC6A2
SCHEMBL8169868 0.85 TBXA2R (0.45) SLC6A4TBXA2RSLC6A2SLC6A3ALDH1A1
SCHEMBL2881204 0.83 SLC6A4 (0.55) HTR2ASLC6A4KCNH2SLC6A2SLC6A3
SCHEMBL7112299 0.83 SLC6A4 (0.65) HTR2ASLC6A4KCNH2SLC6A2SLC6A3
SCHEMBL5836477 0.83 SLC6A4 (0.66) HTR2ASLC6A4TBXA2RKCNH2SLC6A2
SCHEMBL4019396 0.82 HTR2A (0.56) HTR2ASLC6A4KCNH2SLC6A2SLC6A3
SCHEMBL3946409 0.82 HTR2A (0.56) HTR2ASLC6A4KCNH2SLC6A2SLC6A3
SCHEMBL6682249 0.82 ALDH1A1 (0.48) ALDH1A1MEN1KMT2AGAALMNA
SCHEMBL3944807 0.82 SLC6A4 (0.48) HTR2ASLC6A4KCNH2SLC6A2SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 (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 6/4885TBXA2R 437/4885

“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.