SCHEMBL4628660

SCHEMBL4628660

N=C(NC(=O)c1ccc(Cl)c(Cl)c1)NC1CCc2ccccc21

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 8/20 0.60
TAS1R1 Q7RTX1 8/20 0.60
DHODH Q02127 1/20 0.58
PYGL P06737 2/20 0.54
PYGM P11217 2/20 0.54
TAS1R2 Q8TE23 5/20 0.54
PDE4A P27815 1/20 0.52
PDE4B Q07343 1/20 0.52
PDE4C Q08493 1/20 0.52
PDE4D Q08499 1/20 0.52
OPRM1 P35372 2/20 0.49
OPRK1 P41145 2/20 0.49
OPRL1 P41146 1/20 0.48
ALDH1A1 P00352 3/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
HTT P42858 1/20 0.45

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
SCHEMBL4629285 0.82 DHODH (0.55) TAS1R3TAS1R1DHODHTAS1R2PDE4A
SCHEMBL6163049 0.75 PDPK1 (0.59) TAS1R3TAS1R1TAS1R2PDE4APDE4B
SCHEMBL705805 0.75 TAS1R3 (1.00) TAS1R3TAS1R1TAS1R2PDE4APDE4B
SCHEMBL4628661 0.74 OPRM1 (0.48) TAS1R3TAS1R1DHODHPYGLPYGM
SCHEMBL5923923 0.71 TAS1R3 (0.86) TAS1R3TAS1R1TAS1R2PDE4APDE4B
SCHEMBL5923929 0.71 TAS1R3 (0.86) TAS1R3TAS1R1TAS1R2PDE4APDE4B
SCHEMBL6361268 0.71 ALDH1A1 (0.85) TAS1R3TAS1R1TAS1R2ALDH1A1MEN1
SCHEMBL191727 0.71 HTT (0.60) TAS1R3TAS1R1TAS1R2PDE4APDE4B
SCHEMBL3421659 0.71 HTT (0.60) TAS1R3TAS1R1TAS1R2PDE4APDE4B
SCHEMBL191726 0.71 HTT (0.60) TAS1R3TAS1R1TAS1R2PDE4APDE4B

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-1918272-A1 Pharmaceutically active compounds and methods of use Wyeth a Corporation of the State of Delaware (US) 2008-05-07 EP disclosed
US-20060270741-A1 Pharmaceutically active compounds and methods of use SCION PHARMACEUTICALS, INC. (US) 2006-11-30 US disclosed
US-7041702-B1 Pharmaceutically active compounds and methods of use SCION PHARMACEUTICALS, INC. (US) 2006-05-09 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-20060270741-A1 Pharmaceutically active compounds and methods of use GBA1, CTSA, GAA TAS1R3 4271/4885TAS1R1 4326/4885DHODH 1655/4885

“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.