SCHEMBL3774063

SCHEMBL3774063

O=C(O)N1CCC(c2nc(-c3cccc(F)c3)cs2)CC1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.49
FAAH O00519 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
GAA P10253 1/20 0.47
GFER P55789 1/20 0.47
UBE2M P61081 1/20 0.47
DCUN1D1 Q96GG9 1/20 0.47
TRPV1 Q8NER1 2/20 0.47
KDM4E B2RXH2 3/20 0.47
MEN1 O00255 1/20 0.47
MAPT P10636 1/20 0.47
KMT2A Q03164 1/20 0.47
SCD5 Q86SK9 2/20 0.45
SCN9A Q15858 3/20 0.45
HPGDS O60760 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
HDAC9 Q9UKV0 1/20 0.43
KMO O15229 1/20 0.43

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
SCHEMBL3763231 0.87 FAAH (0.61) ALDH1A1FAAHSMN1; SMN2TRPV1SCN9A
SCHEMBL3766121 0.86 TRPV1 (0.53) ALDH1A1FAAHSMN1; SMN2GAATRPV1
SCHEMBL3772595 0.84 TP53 (0.47) ALDH1A1FAAHSMN1; SMN2TRPV1
SCHEMBL19399148 0.84 KDM4E (0.60) ALDH1A1SMN1; SMN2GAATRPV1KDM4E
SCHEMBL25167080 0.84 NPC1 (0.55) ALDH1A1FAAHSMN1; SMN2GAAUBE2M
SCHEMBL2358755 0.82 HPGDS (0.66) FAAHSCN9AHPGDS
SCHEMBL3766125 0.81 FAAH (0.61) FAAHTRPV1
SCHEMBL3765809 0.81 TRPV1 (0.53) ALDH1A1FAAHSMN1; SMN2TRPV1MAPT
SCHEMBL2979822 0.81 ALDH1A1 (0.53) ALDH1A1FAAHSMN1; SMN2GAATRPV1
SCHEMBL2972791 0.81 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2GAATRPV1KDM4E

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
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 ALDH1A1 353/4885FAAH 1/4885SMN1; SMN2 2454/4885

“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.