SCHEMBL3783577

SCHEMBL3783577

CC(C)(C)OC(=O)Nc1ccccc1-c1cccc(N)c1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 10/20 0.54
TRPV1 Q8NER1 1/20 0.46
BRD9 Q9H8M2 1/20 0.46
RXFP1 Q9HBX9 1/20 0.45
HSP90AA1 P07900 1/20 0.43
HSP90AB1 P08238 1/20 0.43
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
PLA2G1B P04054 1/20 0.42
KMT2A Q03164 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
ATG4B Q9Y4P1 1/20 0.42
TACR1 P25103 1/20 0.41
BRD4 O60885 1/20 0.41
CREBBP Q92793 1/20 0.41
CNR2 P34972 1/20 0.41

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
SCHEMBL3790139 0.91 CHRM3 (0.46) CHRM3TRPV1BRD9RXFP1HSP90AA1
SCHEMBL18535719 0.90 BRD9 (0.50) CHRM3TRPV1BRD9RXFP1HSP90AA1
SCHEMBL3786623 0.90 CHRM3 (0.46) CHRM3TRPV1BRD9RXFP1HSP90AA1
SCHEMBL3781977 0.90 CHRM3 (0.44) CHRM3TRPV1BRD9RXFP1HSP90AA1
SCHEMBL3784682 0.85 TRPV1 (0.46) CHRM3TRPV1BRD9RXFP1HSP90AA1
SCHEMBL28444082 0.84 CHRM3 (0.52) CHRM3BRD9MEN1ALDH1A1LMNA
SCHEMBL18539773 0.84 BRD9 (0.48) CHRM3TRPV1BRD9RXFP1HSP90AA1
SCHEMBL3783438 0.84 BRD9 (0.46) CHRM3BRD9RXFP1HSP90AA1HSP90AB1
SCHEMBL3792310 0.83 BRD4 (0.41) CHRM3BRD9ALDH1A1BRD4CREBBP
SCHEMBL3792928 0.83 BRD9 (0.46) CHRM3TRPV1BRD9RXFP1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100087680-A1 METHOD FOR PRODUCING BIARYL COMPOUND SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2010-04-08 US disclosed
EP-1914221-A1 PROCESS FOR PRODUCING BIARYL COMPOUND Sumitomo Chemical Company, Limited (JP) 2008-04-23 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-20100087680-A1 METHOD FOR PRODUCING BIARYL COMPOUND NISCH, BLVRB, BBOX1 CHRM3 1707/4885TRPV1 1353/4885BRD9 247/4885

“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.