SCHEMBL5116110

SCHEMBL5116110

CCN(CC)CCOc1ccc(NC(=O)C=Cc2ccc(C(F)(F)F)cc2Cl)cc1[N+](=O)[O-]

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BCHE P06276 7/20 0.44
ACHE P22303 7/20 0.44
PPARD Q03181 2/20 0.41
KDR P35968 1/20 0.40
EGFR P00533 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
MAPT P10636 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
ALDH1A1 P00352 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C19 P33261 1/20 0.40
PPARG P37231 2/20 0.39
MCHR1 Q99705 1/20 0.39
TP53 P04637 1/20 0.39
PPARA Q07869 1/20 0.39
KDM4E B2RXH2 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
SCHEMBL4008173 1.00 BCHE (0.44) BCHEACHEPPARDKDREGFR
SCHEMBL4006797 0.89 KDR (0.50) BCHEACHEKDRMEN1KMT2A
SCHEMBL4006802 0.89 KDR (0.50) BCHEACHEKDRMEN1KMT2A
SCHEMBL4006836 0.88 BCHE (0.47) BCHEACHEKDRMEN1KMT2A
SCHEMBL4006831 0.88 BCHE (0.47) BCHEACHEKDRMEN1KMT2A
SCHEMBL4007799 0.87 BCHE (0.56) BCHEACHEMEN1KMT2AMAPT
SCHEMBL4007801 0.87 BCHE (0.56) BCHEACHEMEN1KMT2AMAPT
SCHEMBL14209957 0.86 BCHE (0.49) BCHEACHEPPARDKDRMEN1
SCHEMBL14209943 0.84 HRH3 (0.50) BCHEACHEKDREGFRMEN1
SCHEMBL4009005 0.84 MAPT (0.50) PPARDKDRMEN1KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7351719-B2 Amide compounds having MCH-antagonistic activity and medicaments comprising these compounds BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2008-04-01 US disclosed
US-20040152742-A1 Amide compounds having MCH-antagonistic activity and medicaments comprising these compounds BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-08-05 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-20040152742-A1 Amide compounds having MCH-antagonistic activity and medicaments comprising these compounds MCHR2, MCHR1, NPY1R BCHE 995/4885ACHE 2784/4885PPARD 1117/4885

“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.