SCHEMBL3402641

SCHEMBL3402641

COc1ccc(OC)c(-c2nc(C)c(C(=O)NCCC3CCCN3C)s2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 3/20 0.49
ACKR3 P25106 2/20 0.46
CHRM3 P20309 2/20 0.43
TLR9 Q9NR96 1/20 0.43
TLR8 Q9NR97 1/20 0.43
TLR7 Q9NYK1 1/20 0.43
BTK Q06187 1/20 0.43
TP53 P04637 1/20 0.42
PPARD Q03181 1/20 0.42
PPARA Q07869 1/20 0.42
UHRF1 Q96T88 1/20 0.42
ACP1 P24666 1/20 0.41
EGLN1 Q9GZT9 1/20 0.41
POLR1A O95602 1/20 0.41
KDM4E B2RXH2 1/20 0.41
POLB P06746 1/20 0.41
NPBWR1 P48145 1/20 0.41
MCHR1 Q99705 1/20 0.41
PDE3B Q13370 1/20 0.41
PDE3A Q14432 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
SCHEMBL3399791 0.93 CHRM4 (0.49) CHRM4ACKR3CHRM3TLR9TLR8
SCHEMBL3402660 0.88 CHRM4 (0.49) CHRM4ACKR3CHRM3TLR9TLR8
SCHEMBL3402603 0.87 TLR9 (0.53) CHRM4ACKR3TLR9TLR8TLR7
SCHEMBL3403412 0.87 CHRM4 (0.49) CHRM4ACKR3CHRM3TLR9TLR8
SCHEMBL3401785 0.86 ACKR3 (0.54) CHRM4ACKR3CHRM3TP53PPARD
SCHEMBL13071989 0.86 CHRM4 (0.47) CHRM4ACKR3CHRM3TLR9TLR8
SCHEMBL3400749 0.86 CHRM4 (0.49) CHRM4ACKR3TLR9TLR8TLR7
SCHEMBL3400075 0.86 ACKR3 (0.54) CHRM4ACKR3CHRM3BTKTP53
SCHEMBL3403598 0.85 ACKR3 (0.53) CHRM4ACKR3CHRM3TP53PPARD
SCHEMBL3405389 0.85 CHRM4 (0.48) CHRM4ACKR3CHRM3TLR9TLR8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100297035-A1 Thiazole Amides, Imidazole Amides and Related Analogues LIGAND PHARMACEUTICALS, INC. (US) 2010-11-25 US disclosed
US-7728009-B1 Thiazole amides, imidazole amides and related analogues NEUROGEN CORPORATION (US) 2010-06-01 US disclosed
US-7728009-B1 Thiazole amides, imidazole amides and related analogues NEUROGEN CORPORATION (US) 2010-06-01 US disclosed
US-7728009-B1 Thiazole amides, imidazole amides and related analogues NEUROGEN CORPORATION (US) 2010-06-01 US disclosed
WO-2006089076-A9 THIAZOLE AMIDES, IMIDAZOLE AMIDES AND RELATED ANALOGUES NEUROGEN CORP (US) 2007-04-26 WO 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-20100297035-A1 Thiazole Amides, Imidazole Amides and Related Analogues HRH3, HRH4, HRH2 CHRM4 289/4885ACKR3 245/4885CHRM3 176/4885

“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.