SCHEMBL6997076

SCHEMBL6997076

O=C(COc1ncc(Cl)cc1[N+](=O)[O-])N1C2CCC1CC(Cc1ccc(F)cc1)C2

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.42
KMT2A Q03164 2/20 0.39
ALDH1A1 P00352 1/20 0.39
FAAH O00519 2/20 0.36
ACHE P22303 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
POLB P06746 1/20 0.36
CCR3 P51677 2/20 0.35
HCRTR2 O43614 1/20 0.34
THRB P10828 1/20 0.34
PRKCQ Q04759 1/20 0.34
SIGMAR1 Q99720 1/20 0.33
BCHE P06276 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
SCHEMBL6999003 0.87 CCR1 (0.41) KMT2AALDH1A1FAAHACHEKDM4E
SCHEMBL6997012 0.86 KDM4E (0.52) GAAKMT2AALDH1A1FAAHACHE
SCHEMBL7001971 0.85 MEN1 (0.38) KMT2AMEN1POLBCCR3HCRTR2
SCHEMBL6999933 0.84 MEN1 (0.37) KMT2AMEN1POLBCCR3HCRTR2
SCHEMBL7001654 0.83 CCR1 (0.38) ALDH1A1FAAHACHEKDM4EPOLB
SCHEMBL7679039 0.79 SIGMAR1 (0.33) GAAFAAHACHECCR3PRKCQ
SCHEMBL6996562 0.77 POLB (0.54) KMT2AALDH1A1MEN1POLB
SCHEMBL6077068 0.75 CCR1 (0.59)
SCHEMBL6996406 0.74 CCR1 (0.42) KMT2AMEN1POLBCCR3
SCHEMBL6077295 0.74 CCR1 (0.63)

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
EP-1326867-A2 BRIDGED PIPERAZINE DERIVATIVES Pfizer Products Inc. (US) 2003-07-16 EP disclosed
US-20020119961-A1 Bridged piperazine derivatives PFIZER INC. 2002-08-29 US disclosed
WO-2002032901-A2 BRIDGED PIPERAZINE DERIVATIVES PFIZER PRODUCTS INC. (US) 2002-04-25 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-20020119961-A1 Bridged piperazine derivatives MYD88, IL4, ARG1 GAA 4432/4885KMT2A 796/4885ALDH1A1 772/4885

“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.