SCHEMBL1095635

SCHEMBL1095635

COC(=O)Cc1cc(OC(F)F)c(OC)cc1Br

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.50
MTNR1B P49286 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.44
POLB P06746 1/20 0.43
KMT2A Q03164 1/20 0.43
CA1 P00915 4/20 0.42
CA2 P00918 4/20 0.42
CA12 O43570 3/20 0.42
CA9 Q16790 3/20 0.42
LCK P06239 1/20 0.40
FYN P06241 1/20 0.40
CYP3A4 P08684 1/20 0.40
LMNA P02545 2/20 0.39
RECQL P46063 1/20 0.39
STING1 Q86WV6 1/20 0.39

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
SCHEMBL9990598 0.88 MTNR1A (0.60) MTNR1AMTNR1BSMN1; SMN2POLBKMT2A
SCHEMBL1096723 0.87 CA1 (0.46) MTNR1AMTNR1BSMN1; SMN2POLBKMT2A
SCHEMBL1096249 0.86 CA1 (0.45) MTNR1AMTNR1BSMN1; SMN2POLBKMT2A
Hydrochloric Acid SCHEMBL1096252 0.86 CA1 (0.45) MTNR1AMTNR1BSMN1; SMN2POLBKMT2A
SCHEMBL5093792 0.78 TRPV1 (0.53) MTNR1AMTNR1BSMN1; SMN2POLBKMT2A
SCHEMBL1096417 0.78 MTNR1A (0.49) MTNR1AMTNR1BSMN1; SMN2POLBKMT2A
SCHEMBL16865519 0.78 MTNR1A (0.49) MTNR1AMTNR1BSMN1; SMN2POLBKMT2A
SCHEMBL9115953 0.77 HTR2A (0.54) MTNR1AMTNR1BSMN1; SMN2CYP3A4
SCHEMBL20563124 0.76 L3MBTL1 (0.38) SMN1; SMN2KMT2ALMNA
SCHEMBL29737960 0.76 L3MBTL1 (0.38) SMN1; SMN2KMT2ALMNA

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 8 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
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 MTNR1A 52/4885MTNR1B 90/4885SMN1; SMN2 2103/4885

“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.