SCHEMBL6152328

SCHEMBL6152328

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

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 4/20 0.43
SLC6A4 P31645 4/20 0.43
KCNH2 Q12809 4/20 0.43
TBXA2R P21731 5/20 0.42
ALDH1A1 P00352 4/20 0.42
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
GAA P10253 1/20 0.41
PKM P14618 1/20 0.41
PDE7A Q13946 1/20 0.39
MAPT P10636 2/20 0.38
LMNA P02545 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HSD17B10 Q99714 1/20 0.38
KDM4E B2RXH2 2/20 0.37
NPSR1 Q6W5P4 2/20 0.37
HSP90AA1 P07900 1/20 0.37

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
SCHEMBL7515253 0.87 HTR2A (0.47) HTR2ASLC6A4KCNH2TBXA2RALDH1A1
SCHEMBL6153523 0.84 SLC6A4 (0.48) HTR2ASLC6A4KCNH2HSP90AA1
SCHEMBL7107218 0.80 HTR2A (0.46) HTR2ASLC6A4KCNH2TBXA2RALDH1A1
SCHEMBL6151887 0.76 SLC6A4 (0.39) HTR2ASLC6A4KCNH2MAPTLMNA
SCHEMBL6151967 0.75 HTR2A (0.66) HTR2ASLC6A4KCNH2TBXA2RALDH1A1
SCHEMBL6151964 0.74 PDE7A (0.49) HTR2ASLC6A4KCNH2TBXA2RALDH1A1
SCHEMBL7515248 0.73 TBXA2R (0.47) HTR2ASLC6A4KCNH2TBXA2RALDH1A1
SCHEMBL6151811 0.71 MEN1 (0.55) TBXA2RALDH1A1MEN1KMT2AGAA
SCHEMBL6675145 0.71 KMT2A (0.47) ALDH1A1MEN1KMT2AMAPTLMNA
SCHEMBL7454203 0.70 HTR2A (0.50) HTR2ASLC6A4KCNH2TBXA2RALDH1A1

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 4 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
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 6/4885KCNH2 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.