SCHEMBL1096249

SCHEMBL1096249

COc1cc(Br)c(CC(=O)Cl)cc1OC(F)F

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.45
CA2 P00918 4/20 0.45
CA12 O43570 3/20 0.45
CA9 Q16790 3/20 0.45
MTNR1A P48039 1/20 0.44
MTNR1B P49286 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.41
POLB P06746 1/20 0.41
KMT2A Q03164 1/20 0.41
LCK P06239 1/20 0.40
FYN P06241 1/20 0.40
CYP3A4 P08684 1/20 0.40
STING1 Q86WV6 1/20 0.39
P2RX7 Q99572 1/20 0.37
LMNA P02545 1/20 0.37
RECQL P46063 1/20 0.37

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
SCHEMBL1096970 0.88 CA1 (0.54) CA1CA2CA12CA9MTNR1A
SCHEMBL1096723 0.87 CA1 (0.46) CA1CA2CA12CA9MTNR1A
SCHEMBL1095635 0.86 MTNR1A (0.50) CA1CA2CA12CA9MTNR1A
Hydrochloric Acid SCHEMBL1096252 0.86 CA1 (0.45) CA1CA2CA12CA9MTNR1A
SCHEMBL1098118 0.78 CA1 (0.43) CA1CA2CA12CA9MTNR1A
SCHEMBL1097206 0.78 CA1 (0.43) CA1CA2CA12CA9MTNR1A
SCHEMBL21102085 0.74 MTNR1A (0.51) CA1CA2CA12CA9MTNR1A
SCHEMBL30554807 0.74 CA1 (0.55) CA1CA2CA12CA9MTNR1A
SCHEMBL21102209 0.74 CYP3A4 (0.70) CA1CA2CA12CA9MTNR1A
SCHEMBL1098115 0.74 CA1 (0.55) CA1CA2CA12CA9MTNR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8153808-B2 Dihydropyridone amides as P2X7 modulators ROCHE PALO ALTO LLC (US) 2012-04-10 US disclosed
US-8153808-B2 Dihydropyridone amides as P2X7 modulators ROCHE PALO ALTO LLC (US) 2012-04-10 US disclosed
US-8153808-B2 Dihydropyridone amides as P2X7 modulators ROCHE PALO ALTO LLC (US) 2012-04-10 US disclosed
EP-2382192-A2 DIHYDROPYRIDONE AMIDES USEFUL AS MEDICAMENTS FOR THE TREATMENT OF AUTOIMMUNE AND INFLAMMATORY DISEASES F. Hoffmann-La Roche AG (CH) 2011-11-02 EP disclosed
WO-2010072647-A2 DIHYDROPYRIDONE AMIDES AS P2X7 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2010-07-01 WO disclosed
WO-2010072647-A2 DIHYDROPYRIDONE AMIDES AS P2X7 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2010-07-01 WO disclosed
US-20100160387-A1 DIHYDROPYRIDONE AMIDES AS P2X7 MODULATORS ROCHE PALO ALTO LLC 2010-06-24 US disclosed
US-20100160387-A1 DIHYDROPYRIDONE AMIDES AS P2X7 MODULATORS ROCHE PALO ALTO LLC 2010-06-24 US disclosed
US-20100160387-A1 DIHYDROPYRIDONE AMIDES AS P2X7 MODULATORS ROCHE PALO ALTO LLC 2010-06-24 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-20100160387-A1 DIHYDROPYRIDONE AMIDES AS P2X7 MODULATORS P2RY1, P2RX3, P2RX1 CA1 4093/4885CA2 2345/4885CA12 4823/4885

“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.