SCHEMBL7002694

SCHEMBL7002694

O=C(COc1cc(Cl)ccc1[N+](=O)[O-])N1C2CCC1CN(Cc1ccc(F)cc1)C2

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FAAH O00519 4/20 0.49
ACHE P22303 4/20 0.49
BCHE P06276 3/20 0.47
CCR1 P32246 10/20 0.46
KDM4E B2RXH2 1/20 0.45
FPR3 P25089 1/20 0.44
GPR65 Q8IYL9 1/20 0.44
GPR35 Q9HC97 1/20 0.44
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
KMT2A Q03164 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
S1PR1 P21453 1/20 0.41
S1PR5 Q9H228 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
SCHEMBL6993588 0.85 CCR1 (0.48) CCR1FPR3GPR65GPR35
SCHEMBL7000018 0.85 CCR1 (0.53) CCR1FPR3GPR65GPR35S1PR5
SCHEMBL6999003 0.84 CCR1 (0.41) FAAHACHEBCHECCR1KDM4E
SCHEMBL6998592 0.84 MAPT (0.44) FAAHACHEBCHEKDM4EMAPT
SCHEMBL6997000 0.84 CCR1 (0.49) CCR1FPR3GPR65GPR35S1PR5
SCHEMBL7000591 0.83 CCR1 (0.62) CCR1FPR3GPR65GPR35S1PR5
SCHEMBL7004433 0.82 CCR1 (0.49) CCR1FPR3GPR65GPR35KMT2A
SCHEMBL7001654 0.81 CCR1 (0.38) FAAHACHEBCHECCR1KDM4E
SCHEMBL6997012 0.80 KDM4E (0.52) FAAHACHEBCHECCR1KDM4E
SCHEMBL6993640 0.79 CCR1 (0.59) CCR1FPR3GPR65GPR35KMT2A

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 FAAH 2760/4885ACHE 4839/4885BCHE 4736/4885

“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.