SCHEMBL6430862

SCHEMBL6430862

CCCCc1ccc(NC(=O)N2CCN(c3ncccc3[N+](=O)[O-])CC2)cc1

nearest known ligand 0.73

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.62
KDM4E B2RXH2 1/20 0.56
MAPT P10636 1/20 0.56
HTT P42858 1/20 0.56
TRPV1 Q8NER1 2/20 0.55
PDGFRB P09619 1/20 0.54
LMNA P02545 1/20 0.51
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48

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
SCHEMBL6430235 0.85 TRPV1 (0.70) KDM4EMAPTHTTTRPV1PDGFRB
SCHEMBL13930769 0.84 TRPV1 (0.68) KDM4EMAPTHTTTRPV1PDGFRB
SCHEMBL6435440 0.82 TRPV1 (0.71) TRPV1
SCHEMBL13930770 0.78 TRPV1 (0.70) TRPV1
SCHEMBL12190517 0.77 GRM5 (0.58) ALDH1A1MAPTLMNA
SCHEMBL14423747 0.74 TRPV1 (0.73) MAPTTRPV1
SCHEMBL4563772 0.73 CYP1A2 (0.69) ALDH1A1MAPTLMNAMEN1KMT2A
SCHEMBL13930821 0.73 TRPV1 (0.73) TRPV1
SCHEMBL781659 0.73 CYP1A2 (0.87) ALDH1A1MAPTLMNA
SCHEMBL26502508 0.72 PANK3 (0.67) ALDH1A1KDM4EMAPTHTTTRPV1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040176443-A1 Capsaicin receptor ligands NEUROGEN CORPORATION 2004-09-09 US claimed
US-6723730-B2 DIARYL PIPERAZINES AND RELATED COMPOUNDS USEFUL IN THE TREATMENT OF A CHRONIC AND ACUTE PAIN CONDITIONS, ITCH AND URINARY INCONTINENCE. NEUROGEN CORPORATION 2004-04-20 US claimed
EP-1301484-A2 CAPSAICIN RECEPTOR LIGANDS NEUROGEN CORPORATION (US) 2003-04-16 EP claimed
US-20020132853-A1 Capsaicin receptor ligands NEUROGEN CORPORATION 2002-09-19 US claimed
WO-2002008221-A2 CAPSAICIN RECEPTOR LIGANDS NEUROGEN CORPORATION (US) 2002-01-31 WO claimed
EP-1581225-A1 COMBINATION THERAPY FOR THE TREATMENT OF PAIN NEUROGEN CORPORATION (US) 2005-10-05 EP disclosed
US-20040142958-A1 Combination therapy for the treatment of pain NEUROGEN CORPORATION 2004-07-22 US disclosed
WO-2004054582-A1 COMBINATION THERAPY FOR THE TREATMENT OF PAIN NEUROGEN CORPORATION (US) 2004-07-01 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 (3 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-20040176443-A1 Capsaicin receptor ligands TRPV1, TRPV5, TRPV2 ALDH1A1 1103/4885KDM4E 3541/4885MAPT 3250/4885
US-20040142958-A1 Combination therapy for the treatment of pain OPRK1, OPRL1, OPRM1 ALDH1A1 606/4885KDM4E 4717/4885MAPT 3949/4885
US-20020132853-A1 Capsaicin receptor ligands TRPV1, TRPV5, TRPV2 ALDH1A1 1103/4885KDM4E 3541/4885MAPT 3250/4885

“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.