SCHEMBL3774648

SCHEMBL3774648

O=C(O)N1CCN(c2nc(-c3ccc(F)cc3F)cs2)CC1

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FAAH O00519 2/20 0.62
AR P10275 4/20 0.57
LMNA P02545 3/20 0.52
HTT P42858 3/20 0.52
SMN1; SMN2 Q16637 5/20 0.51
MAPK1 P28482 4/20 0.51
MAPT P10636 4/20 0.51
ALDH1A1 P00352 4/20 0.50
L3MBTL1 Q9Y468 3/20 0.50
RAB9A P51151 6/20 0.49
NPC1 O15118 5/20 0.49
CYP1A2 P05177 2/20 0.48
CYP2C19 P33261 2/20 0.48
CYP3A4 P08684 1/20 0.47
GAA P10253 1/20 0.47
CYP2C9 P11712 1/20 0.47
HSD17B10 Q99714 1/20 0.46
TP53 P04637 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
SCHEMBL3760999 0.85 RAB9A (0.66) FAAHARLMNAHTTSMN1; SMN2
SCHEMBL3761098 0.84 FAAH (0.58) FAAHARLMNAHTTSMN1; SMN2
SCHEMBL3765693 0.83 LMNA (0.72) FAAHARLMNAHTTSMN1; SMN2
SCHEMBL3766312 0.81 FAAH (0.62) FAAHARLMNAHTTSMN1; SMN2
SCHEMBL3772115 0.81 AR (0.55) FAAHARLMNAHTTSMN1; SMN2
SCHEMBL3767910 0.80 AR (0.58) FAAHARSMN1; SMN2MAPK1ALDH1A1
SCHEMBL28548975 0.80 SMN1; SMN2 (0.56) FAAHARSMN1; SMN2MAPK1MAPT
Hydrochloric Acid SCHEMBL3766096 0.79 AR (0.57) FAAHARSMN1; SMN2MAPK1ALDH1A1
SCHEMBL3761207 0.79 FAAH (0.62) FAAHLMNAHTTSMN1; SMN2MAPK1
SCHEMBL3771002 0.79 FAAH (0.74) FAAHARLMNAHTTSMN1; SMN2

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 FAAH 1/4885AR 2900/4885LMNA 3346/4885

“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.