SCHEMBL17048568

SCHEMBL17048568

O=C1CCC(C(=O)NCc2cccc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)c2)C1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
KMT2A Q03164 3/20 0.45
TSHR P16473 1/20 0.45
KDM4E B2RXH2 1/20 0.44
LMNA P02545 2/20 0.43
POLB P06746 2/20 0.43
GAA P10253 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
CCR2 P41597 2/20 0.43
MEN1 O00255 1/20 0.43
PLA2G1B P04054 1/20 0.43
HPGD P15428 1/20 0.43
CHRM3 P20309 2/20 0.42
PARP1 P09874 1/20 0.42
PARP15 Q460N3 1/20 0.42
PARP10 Q53GL7 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
BACE1 P56817 1/20 0.41

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
SCHEMBL18882746 0.93 KMT2A (0.46) P2RX7NPC1RAB9AKMT2ATSHR
SCHEMBL17048662 0.85 KDM4E (0.53) P2RX7KMT2ATSHRKDM4ECCR2
SCHEMBL5729938 0.85 CCR2 (0.49) P2RX7NPC1RAB9AKMT2ATSHR
SCHEMBL17048513 0.84 WDR5 (0.53) P2RX7KMT2ATSHRKDM4ECCR2
SCHEMBL17056232 0.82 CCR2 (0.50) P2RX7NPC1RAB9AKMT2ATSHR
SCHEMBL17048681 0.82 CCR2 (0.50) P2RX7NPC1RAB9AKMT2ATSHR
SCHEMBL17048599 0.82 CCR2 (0.52) P2RX7NPC1RAB9AKMT2ATSHR
SCHEMBL17056208 0.82 CCR2 (0.52) P2RX7NPC1RAB9AKMT2ATSHR
SCHEMBL29513995 0.82 CCR2 (0.52) P2RX7NPC1RAB9AKMT2ATSHR
SCHEMBL17048712 0.82 CCR2 (0.50) P2RX7NPC1RAB9AKMT2ATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11236078-B2 Heterocyclic inhibitors of the sodium channel DeGiacomo, Mark G. (US) 2022-02-01 US disclosed
US-11236078-B2 Heterocyclic inhibitors of the sodium channel DeGiacomo, Mark G. (US) 2022-02-01 US disclosed
US-20170145003-A1 HETEROCYCLIC INHIBITORS OF THE SODIUM CHANNEL DeGiacomo, Mark G. (US) 2017-05-25 US disclosed
US-20170145003-A1 HETEROCYCLIC INHIBITORS OF THE SODIUM CHANNEL DeGiacomo, Mark G. (US) 2017-05-25 US disclosed
WO-2015130957-A1 HETEROCYCLIC INHIBITORS OF THE SODIUM CHANNEL Zalicus Pharmaceuticals, Ltd. (US) 2015-09-03 WO disclosed
WO-2015130957-A1 HETEROCYCLIC INHIBITORS OF THE SODIUM CHANNEL Zalicus Pharmaceuticals, Ltd. (US) 2015-09-03 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-20170145003-A1 HETEROCYCLIC INHIBITORS OF THE SODIUM CHANNEL SCN1B, SCN1A, CACNA1S P2RX7 1625/4885NPC1 667/4885RAB9A 794/4885
US-11236078-B2 Heterocyclic inhibitors of the sodium channel SCN1B, TRPM6, SCN1A P2RX7 1524/4885NPC1 934/4885RAB9A 853/4885

“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.