SCHEMBL5906809

SCHEMBL5906809

CCOC(=O)CN(C(=O)OC(C)(C)C)c1ccnc(Cl)c1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 1/20 0.43
SYK P43405 1/20 0.38
F2 P00734 4/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
AAK1 Q2M2I8 2/20 0.34
NFKB1 P19838 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34
ATR Q13535 1/20 0.34
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 2/20 0.33
GAA P10253 2/20 0.33
STAT5B P51692 1/20 0.33
GSTO1 P78417 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
SSTR4 P31391 1/20 0.33
LMNA P02545 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
SCHEMBL6213093 0.82 F2 (0.44) P2RX3F2SMN1; SMN2NFKB1NFKB2
SCHEMBL25213314 0.80 CYP3A4 (0.43) P2RX3SMN1; SMN2NFKB1NFKB2RELA
SCHEMBL30060460 0.78 ALDH1A1 (0.37) P2RX3SMN1; SMN2NFKB1NFKB2RELA
SCHEMBL23611364 0.78 ALDH1A1 (0.37) P2RX3SMN1; SMN2NFKB1NFKB2RELA
SCHEMBL29799450 0.78 ATR (0.40) SYKF2AAK1ATRKDM4E
SCHEMBL7503086 0.78 ATR (0.40) SYKF2AAK1ATRKDM4E
SCHEMBL6081384 0.77 MAPK14 (0.43) SSTR4
SCHEMBL4832575 0.76 SMN1; SMN2 (0.42) F2SMN1; SMN2ALDH1A1GAAKMT2A
SCHEMBL3058381 0.76 SMN1; SMN2 (0.42) F2SMN1; SMN2AAK1NFKB1NFKB2
SCHEMBL29241474 0.76 S100B (0.42) P2RX3SMN1; SMN2AAK1NFKB1NFKB2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060089371-A1 Phenyl or heteroaryl amino alkane derivatives as ip receptor antagonist BAYER HEALTHCARE AG (DE) 2006-04-27 US disclosed
CN-1735598-A Phenyl or heteroaryl amino alkane derivatives as IP receptor antagonist BAYER HEALTHCARE AG (DE) 2006-02-15 CN disclosed
EP-1575919-A1 PHENYL OR HETEROARYL AMINO ALKANE DERIVATIVES AS IP RECEPTOR ANTAGONIST Bayer HealthCare AG (DE) 2005-09-21 EP disclosed
WO-2004043926-A1 PHENYL OR HETEROARYL AMINO ALKANE DERIVATIVES AS IP RECEPTOR ANTAGONIST BAYER HEALTHCARE AG (DE) 2004-05-27 WO 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-20060089371-A1 Phenyl or heteroaryl amino alkane derivatives as ip receptor antagonist BPHL, HRH4, HRH2 P2RX3 113/4885SYK 3815/4885F2 141/4885

“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.