SCHEMBL4294571

SCHEMBL4294571

COC1=NC(C)=C(C(=O)O)C(c2ccc(F)cc2)N1C(=O)Oc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 4/20 0.42
FAAH O00519 1/20 0.42
HSPB1 P04792 1/20 0.38
TDP2 O95551 1/20 0.37
MYLK Q15746 2/20 0.36
PKM P14618 1/20 0.36
CACNA1F O60840 1/20 0.35
CACNA1D Q01668 1/20 0.35
CACNA1S Q13698 1/20 0.35
CACNA1C Q13936 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
GAA P10253 2/20 0.35
MAPT P10636 1/20 0.35

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
SCHEMBL3988068 0.92 MGLL (0.41) MGLLFAAHHSPB1CACNA1FCACNA1D
SCHEMBL6199441 0.86 MEN1 (0.44) MYLKCACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL6194063 0.82 CACNA1F (0.41) CACNA1FCACNA1DCACNA1SCACNA1CMEN1
SCHEMBL6644031 0.81 MYLK (0.39) MGLLFAAHMYLKPKMCACNA1F
SCHEMBL6195392 0.81 CACNA1F (0.40) MGLLFAAHCACNA1FCACNA1DCACNA1S
SCHEMBL14760554 0.80 ALDH1A1 (0.43) MYLKCACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL6715281 0.79 BCL9 (0.35) MGLLFAAHTDP2PKMCACNA1F
SCHEMBL6715274 0.79 BCL9 (0.35) MGLLFAAHTDP2PKMCACNA1F
SCHEMBL6247829 0.77 CACNA1F (0.36) MGLLFAAHCACNA1FCACNA1DCACNA1S
SCHEMBL6641617 0.76 CACNA1F (0.41) CACNA1FCACNA1DCACNA1SCACNA1CMEN1

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-7473698-B2 Secondary amino anilinic piperidines as MCH1 antagonists and uses thereof H. LUNBECK A/S (DK) 2009-01-06 US disclosed
US-20050245743-A1 Secondary amino anilinic piperidines as mch1 antagonists and uses thereof H. LUNDBECK A/S (DK) 2005-11-03 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-20050245743-A1 Secondary amino anilinic piperidines as mch1 antagonists and uses thereof MCHR1, MCHR2, MC1R MGLL 4499/4885FAAH 682/4885HSPB1 2418/4885

“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.