SCHEMBL15224044

SCHEMBL15224044

CCC(=O)/C=C/c1cc2cc(C(=O)N(C)CCN(C)C)[nH]c2[nH]1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 5/20 0.49
SYK P43405 2/20 0.39
IAPP P10997 1/20 0.32
PDGFRB P09619 2/20 0.31
PDGFRA P16234 2/20 0.31
ITGB3 P05106 1/20 0.31
ITGA2B P08514 1/20 0.31
CHRM2 P08172 1/20 0.31
CHRM4 P08173 1/20 0.31
CHRM5 P08912 1/20 0.31
CHRM1 P11229 1/20 0.31
CHRM3 P20309 1/20 0.31
HRH3 Q9Y5N1 1/20 0.31
F10 P00742 1/20 0.30
RXFP1 Q9HBX9 1/20 0.30
ATM Q13315 1/20 0.30
HTR2C P28335 1/20 0.30

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
SCHEMBL16329496 0.88 HRH4 (0.51) HRH4SYKPDGFRBPDGFRAITGB3
SCHEMBL12392422 0.86 HRH4 (0.49) HRH4SYKPDGFRBPDGFRAITGB3
SCHEMBL15224050 0.78 HRH4 (0.59) HRH4SYKITGB3ITGA2BHRH3
SCHEMBL12392435 0.75 HRH4 (0.55) HRH4SYKITGB3ITGA2BHRH3
SCHEMBL19592480 0.70 NPC1 (0.43) RXFP1
SCHEMBL19632112 0.68 KDM4E (0.40) PDGFRBPDGFRA
SCHEMBL14386994 0.65 CYP2A6 (0.51) IAPPPDGFRBPDGFRA
SCHEMBL12289144 0.64 HRH4 (0.69) HRH4PDGFRBPDGFRAITGB3ITGA2B
SCHEMBL12392431 0.63 HRH4 (0.66) HRH4PDGFRBPDGFRAITGB3ITGA2B
SCHEMBL15223908 0.63 HRH4 (0.70) HRH4PDGFRBPDGFRAITGB3ITGA2B

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-9629924-B2 Conjugates of CC-1065 analogs and bifunctional linkers SYNTARGA BV (NL) 2017-04-25 US disclosed
US-20130224227-A1 NOVEL CONJUGATES OF CC-1065 ANALOGS AND BIFUNCTIONAL LINKERS BYONDIS B.V. (NL) 2013-08-29 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 (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-20130224227-A1 NOVEL CONJUGATES OF CC-1065 ANALOGS AND BIFUNCTIONAL LINKERS PCNA, DCLRE1A, CDC5L HRH4 2715/4885SYK 2286/4885IAPP 2238/4885

“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.