SCHEMBL4097482

SCHEMBL4097482

CC(C)OC(=O)c1cnc(N2CCN(C(=O)OC(C)(C)C)CC2)c(Cl)c1

nearest known ligand 0.63

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 18/20 0.63
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
NR1H2 P55055 1/20 0.47
NR1H3 Q13133 1/20 0.47

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
Hydrochloric Acid SCHEMBL5267862 0.93 P2RY12 (0.57) P2RY12MEN1KMT2ANR1H2NR1H3
SCHEMBL2419355 0.88 P2RY12 (0.62) P2RY12MEN1KMT2A
SCHEMBL2419414 0.85 MEN1 (0.52) P2RY12MEN1KMT2ANR1H2NR1H3
SCHEMBL2418785 0.85 MEN1 (0.52) P2RY12MEN1KMT2ANR1H2NR1H3
SCHEMBL2417915 0.85 MEN1 (0.52) P2RY12MEN1KMT2ANR1H2NR1H3
SCHEMBL4114842 0.85 P2RY12 (0.72) P2RY12
SCHEMBL31050093 0.85 MEN1 (0.52) P2RY12MEN1KMT2ANR1H2NR1H3
SCHEMBL30903385 0.85 P2RY12 (0.63) P2RY12MEN1KMT2A
SCHEMBL907683 0.85 P2RY12 (0.63) P2RY12MEN1KMT2A
SCHEMBL2416761 0.83 MEN1 (0.48) P2RY12MEN1KMT2ANR1H2NR1H3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090227555-A2 Novel Pyridine Compounds ASTRAZENECA AB (SE) 2009-09-10 US disclosed
US-20090042852-A1 Novel Pyridine Compounds ASTRAZENECA AB (SE) 2009-02-12 US disclosed
EP-1836189-A1 NOVEL PYRIDINE COMPOUNDS AstraZeneca AB (SE) 2007-09-26 EP disclosed
WO-2006073361-A9 NOVEL PYRIDINE COMPOUNDS ASTRAZENECA AB (SE) 2007-08-02 WO disclosed
WO-2006073361-A1 NOVEL PYRIDINE COMPOUNDS ASTRAZENECA AB (SE) 2006-07-13 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 (2 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-20090042852-A1 Novel Pyridine Compounds P2RY12, P2RY11, P2RY1 P2RY12 1/4885MEN1 2888/4885KMT2A 4642/4885
US-20090227555-A2 Novel Pyridine Compounds P2RY12, P2RY1, P2RY11 P2RY12 1/4885MEN1 2007/4885KMT2A 4406/4885

“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.