SCHEMBL3348216

SCHEMBL3348216

COC[C@@H](O)Cn1nc(-c2ccc(C)c(C(N)=O)c2)cc1C

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 4/20 0.44
KDM4E B2RXH2 2/20 0.42
HPGD P15428 2/20 0.42
TSHR P16473 2/20 0.42
ALDH1A1 P00352 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
LMNA P02545 2/20 0.41
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
KMT2A Q03164 3/20 0.38
POLB P06746 2/20 0.38
MEN1 O00255 1/20 0.38
RAB9A P51151 1/20 0.36
MAPT P10636 1/20 0.36
SYK P43405 1/20 0.36

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
SCHEMBL3342874 1.00 P2RX7 (0.44) P2RX7KDM4EHPGDTSHRALDH1A1
SCHEMBL3344666 0.92 MEN1 (0.45) KDM4ETSHRALDH1A1LMNACYP2C9
SCHEMBL3342438 0.88 P2RX7 (0.46) P2RX7KDM4EHPGDTSHRALDH1A1
SCHEMBL3342220 0.88 P2RX7 (0.46) P2RX7KDM4EHPGDTSHRALDH1A1
SCHEMBL3346565 0.85 P2RX7 (0.43) P2RX7KDM4EHPGDALDH1A1LMNA
SCHEMBL3342797 0.85 P2RX7 (0.43) P2RX7KDM4EHPGDALDH1A1LMNA
SCHEMBL3346108 0.85 P2RX7 (0.43) P2RX7KDM4EHPGDALDH1A1LMNA
SCHEMBL3342883 0.84 LMNA (0.44) P2RX7KDM4EHPGDTSHRALDH1A1
SCHEMBL3342745 0.84 KAT6A (0.42) P2RX7KDM4ETSHRALDH1A1LMNA
SCHEMBL3348223 0.84 LMNA (0.44) P2RX7KDM4EHPGDTSHRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8435990-B2 Dihydropyrimidone amides as P2X7 modulators ROCHE PALO ALTO LLC (US) 2013-05-07 US disclosed
US-20110028502-A1 DIHYDROPYRIMIDONE AMIDES AS P2X7 MODULATORS BROTHERTON-PLEISS CHRISTINE E 2011-02-03 US disclosed
US-20100160384-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 (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-20100160384-A1 DIHYDROPYRIDONE AMIDES AS P2X7 MODULATORS P2RY1, P2RX6, P2RX3 P2RX7 8/4885KDM4E 2591/4885HPGD 925/4885
US-20110028502-A1 DIHYDROPYRIMIDONE AMIDES AS P2X7 MODULATORS P2RY1, P2RX7, P2RX3 P2RX7 2/4885KDM4E 2728/4885HPGD 1322/4885

“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.