SCHEMBL3339864

SCHEMBL3339864

O=C1C=CN(C(=O)O)[C@H](c2ccc(F)c(F)c2)C1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 12/20 0.44
TSHR P16473 1/20 0.38
HTR7 P34969 1/20 0.37
FFAR2 O15552 1/20 0.36
ABCB1 P08183 1/20 0.35
ABCG2 Q9UNQ0 1/20 0.35
CES2 O00748 1/20 0.35
CES1 P23141 1/20 0.35
KDM1A O60341 1/20 0.34
USP5 P45974 1/20 0.34
HDAC6 Q9UBN7 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
SCHEMBL3344358 1.00 P2RX7 (0.44) P2RX7TSHRHTR7FFAR2ABCB1
SCHEMBL3339870 1.00 P2RX7 (0.44) P2RX7TSHRHTR7FFAR2ABCB1
SCHEMBL3341987 0.85 P2RX7 (0.54) P2RX7HTR7
SCHEMBL1100850 0.85 P2RX7 (0.54) P2RX7HTR7
SCHEMBL3347134 0.83 RIPK1 (0.47) P2RX7
SCHEMBL3347125 0.83 RIPK1 (0.47) P2RX7
SCHEMBL2579948 0.83 P2RX7 (0.43) P2RX7TSHRHTR7FFAR2KDM1A
SCHEMBL3344365 0.82 P2RX7 (0.43) P2RX7HTR7FFAR2CES2CES1
SCHEMBL3347368 0.82 P2RX7 (0.43) P2RX7HTR7FFAR2CES2CES1
SCHEMBL3341954 0.82 P2RX7 (0.43) P2RX7HTR7FFAR2CES2CES1

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
EP-2393781-B1 DIHYDROPYRIDONE UREAS AS P2X7 MODULATORS HOFFMANN LA ROCHE (CH) 2014-03-12 EP disclosed
US-20100160388-A1 DIHYDROPYRIDONE UREAS 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-20100160388-A1 DIHYDROPYRIDONE UREAS AS P2X7 MODULATORS P2RY1, P2RX1, P2RX3 P2RX7 5/4885TSHR 814/4885HTR7 316/4885

“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.