SCHEMBL6734830

SCHEMBL6734830

Cc1cc(C)cc(CN2CCN(CCC(=O)N(Cc3cccc(C(=O)O)c3)c3cccc(CN4CCCCC4)c3)C2=C(C#N)C#N)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
HIF1A Q16665 1/20 0.46
HRH3 Q9Y5N1 6/20 0.39
KDM4E B2RXH2 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
LTB4R2 Q9NPC1 1/20 0.33
PDK1 Q15118 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC7 Q8WUI4 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC10 Q969S8 1/20 0.33
HDAC11 Q96DB2 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
HDAC9 Q9UKV0 1/20 0.33
HDAC5 Q9UQL6 1/20 0.33
CHRM2 P08172 1/20 0.33

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
SCHEMBL6736330 0.93 HRH3 (0.43) CYP2D6CYP2C9HIF1AHRH3KDM4E
SCHEMBL6729180 0.92 HRH3 (0.38) CYP2D6CYP2C9HIF1AHRH3KDM4E
SCHEMBL6734154 0.89 HRH3 (0.42) CYP2D6CYP2C9HIF1AHRH3KDM4E
SCHEMBL6734494 0.88 HRH3 (0.39) CYP2D6CYP2C9HIF1AHRH3KDM4E
SCHEMBL6733594 0.87 HRH3 (0.37) CYP2D6CYP2C9HIF1AHRH3KDM4E
SCHEMBL6735891 0.87 HRH3 (0.42) CYP2D6CYP2C9HIF1AHRH3
SCHEMBL6730287 0.87 HRH3 (0.42) CYP2D6CYP2C9HIF1AHRH3KDM4E
SCHEMBL6735545 0.86 HRH3 (0.41) CYP2D6CYP2C9HIF1AHRH3KDM4E
SCHEMBL6734999 0.86 CYP2D6 (0.42) CYP2D6CYP2C9HIF1AHRH3KDM4E
SCHEMBL7001866 0.86 HRH3 (0.41) CYP2D6CYP2C9HIF1AHRH3KDM4E

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-20040127507-A1 Imidazolidine compounds MILLENNIUM PHARMACEUTICALS, INC. (US) 2004-07-01 US disclosed
US-20040122026-A1 Imidazolidine compounds MILLENNIUM PHARMACEUTICALS, INC. 2004-06-24 US disclosed
US-20030225288-A1 Imidazolidine compounds MILLENNIUM PHARMACEUTICALS, INC. 2003-12-04 US 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 (3 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-20040127507-A1 Imidazolidine compounds IRAK1, IRAK4, IRAK2 CYP2D6 685/4885CYP2C9 236/4885HIF1A 2307/4885
US-20030225288-A1 Imidazolidine compounds IRAK1, IRAK4, IRAK2 CYP2D6 685/4885CYP2C9 236/4885HIF1A 2307/4885
US-20040122026-A1 Imidazolidine compounds IRAK1, IRAK4, IRAK2 CYP2D6 685/4885CYP2C9 236/4885HIF1A 2307/4885

“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.