SCHEMBL5569474

SCHEMBL5569474

CCCOc1ccc(CN[C@H](CC(=O)O)Cc2ccc(-c3cn(C)c(C(C)(C)C)n3)cc2)cc1Cl

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 4/20 0.39
GCGR P47871 2/20 0.39
GIPR P48546 2/20 0.39
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
PPARG P37231 3/20 0.35
CXCR3 P49682 2/20 0.35
CSNK2A1 P68400 2/20 0.35
S1PR2 O95136 1/20 0.35
S1PR1 P21453 1/20 0.35
S1PR3 Q99500 1/20 0.35
LPAR2 Q9HBW0 1/20 0.35
MMEL1 Q495T6 2/20 0.34
MME P08473 1/20 0.34
PPARD Q03181 1/20 0.34
PPARA Q07869 1/20 0.34
ITGB1 P05556 1/20 0.34
ITGA4 P13612 1/20 0.34

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
SCHEMBL5569467 0.89 CENPE (0.39) P2RX3MEN1KMT2APPARGS1PR1
SCHEMBL5569135 0.83 MEN1 (0.36) P2RX3GCGRGIPRMEN1KMT2A
SCHEMBL4776899 0.81 MEN1 (0.37) P2RX3GCGRGIPRMEN1KMT2A
SCHEMBL5569744 0.78 THRA (0.36) P2RX3GCGRGIPRPPARGCSNK2A1
SCHEMBL2104873 0.77 CENPE (0.51) P2RX3S1PR1S1PR3MMEL1MME
SCHEMBL5565634 0.77 GCGR (0.37) P2RX3GCGRGIPRPPARGCSNK2A1
SCHEMBL3231108 0.75 CENPE (0.41) P2RX3GCGRGIPRPPARG
SCHEMBL5565856 0.73 CSNK2A1 (0.33) CSNK2A1S1PR1
SCHEMBL5569939 0.73 CSNK2A1 (0.33) GCGRGIPRCSNK2A1S1PR1
SCHEMBL5569134 0.72 CENPE (0.39) P2RX3MEN1KMT2ACSNK2A1S1PR1

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-20070219192-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INCORPORATED 2007-09-20 US claimed
US-20070219192-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INCORPORATED 2007-09-20 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-20070219192-A1 Certain chemical entities, compositions, and methods KIF5B, KIF2C, PLK1 P2RX3 4199/4885GCGR 4790/4885GIPR 4660/4885

“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.