SCHEMBL6799900

SCHEMBL6799900

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

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.36
CYP2D6 P10635 2/20 0.34
CYP2C9 P11712 2/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C19 P33261 1/20 0.34
OPRM1 P35372 1/20 0.34
OPRD1 P41143 1/20 0.34
OPRK1 P41145 1/20 0.34
CACNA1G O43497 3/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
HIF1A Q16665 1/20 0.33
ALDH1A1 P00352 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CHRM3 P20309 1/20 0.32
PTGER1 P34995 1/20 0.32

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
SCHEMBL6734999 0.92 CYP2D6 (0.42) HRH3CYP2D6CYP2C9OPRD1CACNA1G
SCHEMBL6737153 0.87 HRH3 (0.40) HRH3CYP2D6CYP2C9HIF1AALDH1A1
SCHEMBL6729180 0.87 HRH3 (0.38) HRH3CYP2D6CYP2C9CYP3A4CYP2C19
SCHEMBL6735036 0.84 HRH3 (0.34) HRH3
SCHEMBL6740383 0.82 HRH3 (0.42) HRH3CYP2D6CYP2C9MEN1KMT2A
SCHEMBL6732800 0.81 HDAC3 (0.37) HRH3OPRM1CACNA1GMEN1KMT2A
SCHEMBL6839627 0.80 LMNA (0.37) HRH3MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL6734818 0.80 HRH3 (0.38) HRH3CYP2D6CYP2C9CYP3A4CYP2C19
SCHEMBL6736360 0.80 HRH3 (0.36) HRH3CYP2D6CYP2C9CYP3A4CYP2C19
SCHEMBL6732976 0.80 HRH3 (0.41) HRH3CYP2D6CYP2C9HIF1APTGER1

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.