SCHEMBL3767461

SCHEMBL3767461

Cc1cccc(-c2csc(N3CCN(C(=O)OC(C)(C)C)CC3)n2)c1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 12/20 0.54
ALDH1A1 P00352 9/20 0.54
LMNA P02545 9/20 0.53
MAPK1 P28482 7/20 0.53
HTT P42858 5/20 0.53
SMN1; SMN2 Q16637 4/20 0.53
TSHR P16473 2/20 0.53
NPSR1 Q6W5P4 2/20 0.53
RAB9A P51151 3/20 0.52
NPC1 O15118 2/20 0.52
TP53 P04637 3/20 0.52
HSD17B10 Q99714 3/20 0.52
GAA P10253 2/20 0.52
KMT2A Q03164 4/20 0.50
MEN1 O00255 3/20 0.50
USP30 Q70CQ3 1/20 0.49
GPR119 Q8TDV5 1/20 0.48
FAAH O00519 1/20 0.48

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
SCHEMBL3764614 0.89 FAAH (0.58) MAPTALDH1A1LMNAMAPK1HTT
SCHEMBL3778538 0.89 SMN1; SMN2 (0.59) MAPTALDH1A1LMNAMAPK1HTT
SCHEMBL3765754 0.88 RAB9A (0.66) MAPTALDH1A1LMNAMAPK1HTT
SCHEMBL3770715 0.88 MAPT (0.68) MAPTALDH1A1LMNAMAPK1HTT
SCHEMBL3772450 0.87 AR (0.61) MAPTALDH1A1LMNAMAPK1HTT
SCHEMBL3770534 0.86 FAAH (0.53) MAPTALDH1A1LMNAMAPK1HTT
SCHEMBL27691357 0.86 MAPT (0.50) MAPTALDH1A1LMNAMAPK1HTT
SCHEMBL3770555 0.85 RAB9A (0.61) MAPTALDH1A1LMNAMAPK1HTT
SCHEMBL13208949 0.84 MAPT (0.58) MAPTALDH1A1LMNAMAPK1HTT
SCHEMBL3767565 0.82 MAPT (0.74) MAPTALDH1A1LMNAMAPK1HTT

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 MAPT 3805/4885ALDH1A1 353/4885LMNA 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.