SCHEMBL3766057

SCHEMBL3766057

O=C(Nc1cccnc1)N1CCN(c2nc(-c3cccc(Cl)c3Cl)cs2)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 2/20 0.52
MAPT P10636 6/20 0.50
MAPK1 P28482 5/20 0.50
LMNA P02545 5/20 0.49
ALDH1A1 P00352 4/20 0.49
GAA P10253 2/20 0.49
KMT2A Q03164 2/20 0.49
MEN1 O00255 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
SMN1; SMN2 Q16637 4/20 0.47
TP53 P04637 2/20 0.47
HTT P42858 2/20 0.47
PI4KB Q9UBF8 1/20 0.47
ROCK1 Q13464 1/20 0.46
TRPV1 Q8NER1 3/20 0.46
HTR2C P28335 4/20 0.46
HTR2A P28223 3/20 0.46
RECQL P46063 1/20 0.45
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44

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
SCHEMBL3766134 0.93 FAAH (0.56) FAAHMAPTMAPK1LMNAALDH1A1
SCHEMBL3764586 0.86 MAPT (0.53) FAAHMAPTMAPK1LMNAALDH1A1
SCHEMBL3765881 0.85 FAAH (0.54) FAAHMAPTMAPK1LMNAALDH1A1
SCHEMBL3771939 0.85 FAAH (0.63) FAAHMAPTMAPK1LMNAALDH1A1
SCHEMBL3771970 0.83 MAPT (0.63) FAAHMAPTMAPK1LMNAALDH1A1
SCHEMBL3761168 0.82 FAAH (0.68) FAAHMAPTMAPK1LMNAALDH1A1
Hydrochloric Acid SCHEMBL3772523 0.82 FAAH (0.67) FAAHMAPTMAPK1LMNAALDH1A1
SCHEMBL3761207 0.81 FAAH (0.62) FAAHMAPTMAPK1LMNAALDH1A1
SCHEMBL3778524 0.80 SMN1; SMN2 (0.61) FAAHMAPTMAPK1LMNAALDH1A1
SCHEMBL3772234 0.80 HTR2C (0.55) MAPTMAPK1LMNAALDH1A1NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080312226-A1 Amide Compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-12-18 US claimed
EP-1813606-A1 AMIDE COMPOUND Takeda Pharmaceutical Company Limited (JP) 2007-08-01 EP claimed
US-7851473-B2 Amide compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-12-14 US disclosed
US-20080312226-A1 Amide Compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-12-18 US disclosed
EP-1813606-A1 AMIDE COMPOUND Takeda Pharmaceutical Company Limited (JP) 2007-08-01 EP 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-20080312226-A1 Amide Compound FAAH, FAAH2, CNR2 FAAH 1/4885MAPT 3805/4885MAPK1 2636/4885

“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.