SCHEMBL3784682

SCHEMBL3784682

CC(C)(C)OC(=O)Nc1ccccc1-c1ccc(N)cc1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.46
BRD9 Q9H8M2 1/20 0.43
CHRM3 P20309 7/20 0.42
LMNA P02545 1/20 0.42
POLB P06746 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
CHRM2 P08172 2/20 0.41
CHRM1 P11229 2/20 0.41
TACR1 P25103 1/20 0.41
HSP90AA1 P07900 1/20 0.41
HSP90AB1 P08238 1/20 0.41
BRD4 O60885 1/20 0.40
CREBBP Q92793 1/20 0.40
IDO1 P14902 1/20 0.40

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
SCHEMBL3786959 0.89 BRD4 (0.41) TRPV1BRD9LMNAPOLBRXFP1
SCHEMBL28444082 0.88 CHRM3 (0.52) BRD9CHRM3LMNACHRM2CHRM1
SCHEMBL3786206 0.86 CYP17A1 (0.42) TRPV1BRD9RXFP1
SCHEMBL3786212 0.86 MAP4K4 (0.42) TRPV1BRD9RXFP1BRD4CREBBP
Acetic Acid SCHEMBL1157172 0.85 CHRM3 (0.50) BRD9CHRM3LMNACHRM2CHRM1
SCHEMBL6831599 0.85 ALDH1A1 (0.45) LMNAPOLB
SCHEMBL3783577 0.85 CHRM3 (0.54) TRPV1BRD9CHRM3LMNARXFP1
SCHEMBL6831601 0.84 SOAT1 (0.44) LMNAIDO1
SCHEMBL3792928 0.83 BRD9 (0.46) TRPV1BRD9CHRM3LMNARXFP1
SCHEMBL3783569 0.83 BRD9 (0.46) BRD9CHRM3RXFP1CHRM2CHRM1

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 TRPV1 1353/4885BRD9 247/4885CHRM3 1707/4885

“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.