SCHEMBL17048712

SCHEMBL17048712

O=C(NCc1cccc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1)C1CC[C@@H](F)C1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 5/20 0.50
KMT2A Q03164 2/20 0.46
TSHR P16473 1/20 0.46
KDM4E B2RXH2 1/20 0.45
P2RX7 Q99572 1/20 0.43
CHRM3 P20309 2/20 0.42
IDH2 P48735 1/20 0.42
LMNA P02545 2/20 0.42
POLB P06746 1/20 0.42
GAA P10253 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
BACE1 P56817 2/20 0.42
BACE2 Q9Y5Z0 1/20 0.42
KCNH2 Q12809 1/20 0.41
MEN1 O00255 1/20 0.41
PLA2G1B P04054 1/20 0.41
HPGD P15428 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL17056232 1.00 CCR2 (0.50) CCR2KMT2ATSHRKDM4EP2RX7
SCHEMBL17048681 1.00 CCR2 (0.50) CCR2KMT2ATSHRKDM4EP2RX7
SCHEMBL18882747 0.93 KMT2A (0.46) CCR2KMT2ATSHRKDM4EP2RX7
SCHEMBL17048597 0.89 CCR2 (0.52) CCR2KMT2ATSHRKDM4EP2RX7
SCHEMBL17048599 0.89 CCR2 (0.52) CCR2KMT2ATSHRKDM4EP2RX7
SCHEMBL17056208 0.89 CCR2 (0.52) CCR2KMT2ATSHRKDM4EP2RX7
SCHEMBL29513995 0.89 CCR2 (0.52) CCR2KMT2ATSHRKDM4EP2RX7
SCHEMBL17048662 0.86 KDM4E (0.53) CCR2KMT2ATSHRKDM4EP2RX7
SCHEMBL17048513 0.85 WDR5 (0.53) CCR2KMT2ATSHRKDM4EP2RX7
SCHEMBL18882745 0.83 CCR2 (0.46) CCR2KMT2ATSHRKDM4EP2RX7

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 7 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
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 CCR2 2719/4885KMT2A 3063/4885TSHR 872/4885
US-11236078-B2 Heterocyclic inhibitors of the sodium channel SCN1B, TRPM6, SCN1A CCR2 2739/4885KMT2A 3328/4885TSHR 825/4885

“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.