SCHEMBL6729180

SCHEMBL6729180

COC(=O)c1cccc(CN(C(=O)CCN2CCN(Cc3cc(C)cc(C)c3)C2=C(C#N)C#N)c2cccc(CN3CCCCC3)c2)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.38
CYP2D6 P10635 2/20 0.36
CYP2C9 P11712 2/20 0.36
HIF1A Q16665 1/20 0.36
CYP3A4 P08684 1/20 0.35
CYP2C19 P33261 1/20 0.35
STAT3 P40763 1/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
ALDH1A1 P00352 1/20 0.34
HSD17B10 Q99714 1/20 0.34
OPRM1 P35372 1/20 0.34
OPRD1 P41143 1/20 0.34
OPRK1 P41145 1/20 0.34
TLR7 Q9NYK1 2/20 0.33
CHRM3 P20309 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC1 Q13547 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
SCHEMBL6734830 0.92 CYP2D6 (0.46) HRH3CYP2D6CYP2C9HIF1ACHRM3
SCHEMBL6736330 0.90 HRH3 (0.43) HRH3CYP2D6CYP2C9HIF1AMEN1
SCHEMBL6736360 0.88 HRH3 (0.36) HRH3CYP2D6CYP2C9CYP3A4CYP2C19
SCHEMBL6734818 0.88 HRH3 (0.38) HRH3CYP2D6CYP2C9CYP3A4CYP2C19
SCHEMBL6799900 0.87 HRH3 (0.36) HRH3CYP2D6CYP2C9HIF1ACYP3A4
SCHEMBL6739327 0.85 HRH3 (0.41) HRH3CYP2D6CYP2C9HIF1AMEN1
SCHEMBL6734154 0.85 HRH3 (0.42) HRH3CYP2D6CYP2C9HIF1ACYP3A4
SCHEMBL6730287 0.85 HRH3 (0.42) HRH3CYP2D6CYP2C9HIF1AALDH1A1
SCHEMBL6735891 0.85 HRH3 (0.42) HRH3CYP2D6CYP2C9HIF1AOPRM1
SCHEMBL6735021 0.85 HRH3 (0.34) HRH3

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 HRH3 530/4885CYP2D6 685/4885CYP2C9 236/4885
US-20030225288-A1 Imidazolidine compounds IRAK1, IRAK4, IRAK2 HRH3 530/4885CYP2D6 685/4885CYP2C9 236/4885
US-20040122026-A1 Imidazolidine compounds IRAK1, IRAK4, IRAK2 HRH3 530/4885CYP2D6 685/4885CYP2C9 236/4885

“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.