SCHEMBL2581606

SCHEMBL2581606

CC[C@H](c1ccccc1)N(C)C(=O)c1csc(C2CCNCC2)n1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 2/20 0.41
HPGDS O60760 1/20 0.40
BAZ2A Q9UIF9 2/20 0.39
SLC6A3 Q01959 1/20 0.38
AOC3 Q16853 1/20 0.38
PLAT P00750 1/20 0.37
GSK3B P49841 1/20 0.37
DYRK1A Q13627 1/20 0.37
TRPM8 Q7Z2W7 1/20 0.35
KIF11 P52732 2/20 0.35
TLR9 Q9NR96 1/20 0.35
TLR8 Q9NR97 1/20 0.35
TLR7 Q9NYK1 1/20 0.35
OPRM1 P35372 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
GABRA1 P14867 2/20 0.34
GABRG2 P18507 2/20 0.34
GABRB3 P28472 2/20 0.34

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
SCHEMBL27879767 1.00 OPRD1 (0.41) OPRD1HPGDSBAZ2ASLC6A3AOC3
Hydrochloric Acid SCHEMBL2401095 0.85 PLAT (0.48) OPRD1HPGDSBAZ2ASLC6A3AOC3
Hydrochloric Acid SCHEMBL27827025 0.85 PLAT (0.48) OPRD1HPGDSBAZ2ASLC6A3AOC3
SCHEMBL2581282 0.81 GPR119 (0.44) MEN1KMT2A
SCHEMBL16392221 0.79 HPGDS (0.45) HPGDSBAZ2AAOC3GSK3BDYRK1A
SCHEMBL2581288 0.77 FAAH (0.39) MEN1KMT2A
SCHEMBL2584190 0.76 CCR3 (0.40) OPRD1OPRM1
SCHEMBL13422332 0.76 OPRD1 (0.42) OPRD1HPGDSBAZ2ASLC6A3AOC3
Hydrochloric Acid SCHEMBL2951975 0.75 OPRD1 (0.41) OPRD1HPGDSBAZ2ASLC6A3AOC3
SCHEMBL27879779 0.74 KDM4E (0.42)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8586611-B2 Fungicidal carboxamides E. I. DU PONT DE NEMOURS AND COMPANY (US) 2013-11-19 US disclosed
EP-1948649-B1 FUNGICIDAL CARBOXAMIDES DU PONT (US) 2013-06-26 EP disclosed
CN-101228156-B Fungicidal carboxamides DU PONT 2012-07-18 CN disclosed
US-20110269712-A1 Fungicidal Carboxamides BISAHA JOHN JOSEPH 2011-11-03 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-20110269712-A1 Fungicidal Carboxamides NAT1, PFAS, CHRM1 OPRD1 3583/4885HPGDS 4122/4885BAZ2A 1992/4885

“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.