SCHEMBL17048461

SCHEMBL17048461

CCOC(=O)C1CCCN(Cc2cccc(Oc3ccccc3)c2)C1=O

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR8 P51685 4/20 0.63
MEN1 O00255 2/20 0.63
KMT2A Q03164 2/20 0.63
POLB P06746 1/20 0.54
KDM4E B2RXH2 4/20 0.51
APP P05067 4/20 0.49
MMP1 P03956 1/20 0.49
MMP2 P08253 1/20 0.49
MMP7 P09237 1/20 0.49
MMP10 P09238 1/20 0.49
MMP9 P14780 1/20 0.49
MMP13 P45452 1/20 0.49
PSEN1 P49768 1/20 0.49
PSEN2 P49810 1/20 0.49
MMP14 P50281 1/20 0.49
ADAM17 P78536 1/20 0.49
APH1B Q8WW43 1/20 0.49
NCSTN Q92542 1/20 0.49
APH1A Q96BI3 1/20 0.49
PSENEN Q9NZ42 1/20 0.49

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
SCHEMBL17048430 0.94 CCR8 (0.66) CCR8MEN1KMT2APOLBKDM4E
SCHEMBL14345645 0.88 MEN1 (0.59) MEN1KMT2APOLBKDM4EALDH1A1
SCHEMBL28116468 0.87 CCR8 (0.51) CCR8MEN1KMT2AKDM4EAPP
Hydrochloric Acid SCHEMBL10813366 0.87 MEN1 (0.58) MEN1KMT2APOLBKDM4EALDH1A1
SCHEMBL4349231 0.82 KMT2A (0.53) CCR8MEN1KMT2AKDM4EAPP
SCHEMBL15374439 0.81 MEN1 (0.65) CCR8MEN1KMT2AKDM4EALDH1A1
SCHEMBL28116823 0.80 CCR8 (0.53) CCR8MEN1KMT2APOLBKDM4E
SCHEMBL6529627 0.78 CCR8 (0.77) CCR8MEN1KMT2AKDM4EALDH1A1
Hydrochloric Acid SCHEMBL5555279 0.76 FKBP1A (0.54) MEN1KMT2APOLBAPPALDH1A1
SCHEMBL4349232 0.75 MEN1 (0.51) CCR8MEN1KMT2AKDM4EAPP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10377745-B2 Heterocyclic compounds as NaV channel inhibitors and uses thereof MERCK PATENT GMBH (DE) 2019-08-13 US disclosed
US-10377745-B2 Heterocyclic compounds as NaV channel inhibitors and uses thereof MERCK PATENT GMBH (DE) 2019-08-13 US disclosed
US-20170233377-A1 HETEROCYCLIC COMPOUNDS AS NAV CHANNEL INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2017-08-17 US disclosed
US-20170233377-A1 HETEROCYCLIC COMPOUNDS AS NAV CHANNEL INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2017-08-17 US disclosed
US-20170233377-A1 HETEROCYCLIC COMPOUNDS AS NAV CHANNEL INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2017-08-17 US disclosed
US-9676757-B2 Heterocyclic compounds as NaV channel inhibitors and uses thereof MERCK PATENT GMBH (DE) 2017-06-13 US disclosed
US-9676757-B2 Heterocyclic compounds as NaV channel inhibitors and uses thereof MERCK PATENT GMBH (DE) 2017-06-13 US disclosed
US-9676757-B2 Heterocyclic compounds as NaV channel inhibitors and uses thereof MERCK PATENT GMBH (DE) 2017-06-13 US disclosed
EP-3110794-A1 HETEROCYCLIC COMPOUNDS AS NAV CHANNEL INHIBITORS AND USES THEREOF Merck Patent GmbH (DE) 2017-01-04 EP disclosed
US-20150266862-A1 HETEROCYCLIC COMPOUNDS AS NAV CHANNEL INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2015-09-24 US disclosed
US-20150266862-A1 HETEROCYCLIC COMPOUNDS AS NAV CHANNEL INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2015-09-24 US disclosed
US-20150266862-A1 HETEROCYCLIC COMPOUNDS AS NAV CHANNEL INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2015-09-24 US disclosed
WO-2015130905-A1 HETEROCYCLIC COMPOUNDS AS NAV CHANNEL INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2015-09-03 WO disclosed
WO-2015130905-A1 HETEROCYCLIC COMPOUNDS AS NAV CHANNEL INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 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 (3 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-20170233377-A1 HETEROCYCLIC COMPOUNDS AS NAV CHANNEL INHIBITORS AND USES THEREOF CACNA1B, CACNG6, SCN5A CCR8 3573/4885MEN1 2625/4885KMT2A 2908/4885
US-20150266862-A1 HETEROCYCLIC COMPOUNDS AS NAV CHANNEL INHIBITORS AND USES THEREOF CACNA1B, CACNG6, SCN5A CCR8 3573/4885MEN1 2625/4885KMT2A 2908/4885
US-10377745-B2 Heterocyclic compounds as NaV channel inhibitors and uses thereof CACNA1B, CACNG6, SCN5A CCR8 3573/4885MEN1 2625/4885KMT2A 2908/4885

“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.