SCHEMBL17048438

SCHEMBL17048438

COC(=O)C1CCN(Cc2cccc(Oc3ccccc3)c2)C1

nearest known ligand 0.69

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CCR8 P51685 5/20 0.69
KDM4E B2RXH2 4/20 0.63
ALDH1A1 P00352 3/20 0.56
MAPT P10636 1/20 0.56
LTA4H P09960 1/20 0.56
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
TDP1 Q9NUW8 1/20 0.54
LMNA P02545 1/20 0.54
GAA P10253 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
FAAH O00519 2/20 0.54

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
SCHEMBL15634802 0.88 CCR8 (0.68) CCR8KDM4EALDH1A1MAPTMEN1
SCHEMBL15635404 0.88 CCR8 (0.68) CCR8KDM4EALDH1A1MAPTMEN1
SCHEMBL17104843 0.87 CCR8 (0.67) CCR8KDM4EALDH1A1MAPTMEN1
SCHEMBL8263431 0.87 LTA4H (0.63) KDM4EALDH1A1MAPTLTA4HMEN1
SCHEMBL1717074 0.87 LTA4H (0.63) KDM4EALDH1A1MAPTLTA4HMEN1
SCHEMBL15635711 0.86 CCR8 (0.88) CCR8KDM4EALDH1A1MAPTTDP1
SCHEMBL17099412 0.85 CCR8 (0.62) CCR8KDM4EALDH1A1MAPTMEN1
SCHEMBL17104831 0.85 MEN1 (0.61) CCR8KDM4EALDH1A1MAPTMEN1
SCHEMBL17104844 0.85 CCR8 (0.64) CCR8KDM4EALDH1A1MEN1KMT2A
SCHEMBL15635195 0.84 CCR8 (0.58) CCR8KDM4EALDH1A1MAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106255679-B As NAThe heterocyclic compound and application thereof of V channel inhibitor 默克专利有限公司 2019-09-06 CN disclosed
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
CN-106255679-A As Naheterocyclic compound of V channel inhibitor and application thereof 默克专利有限公司 2016-12-21 CN disclosed
US-20150274657-A1 PYRROLIDINES MERCK PATENT GMBH (DE) 2015-10-01 US disclosed
US-20150274657-A1 PYRROLIDINES MERCK PATENT GMBH (DE) 2015-10-01 US disclosed
US-20150274657-A1 PYRROLIDINES MERCK PATENT GMBH (DE) 2015-10-01 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
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 (4 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 3573/4885KDM4E 2066/4885ALDH1A1 3556/4885
US-20150266862-A1 HETEROCYCLIC COMPOUNDS AS NAV CHANNEL INHIBITORS AND USES THEREOF CACNA1B, CACNG6, SCN5A CCR8 3573/4885KDM4E 2066/4885ALDH1A1 3556/4885
US-20150274657-A1 PYRROLIDINES NR4A3, NR0B1, NR0B2 CCR8 1120/4885KDM4E 2503/4885ALDH1A1 2933/4885
US-10377745-B2 Heterocyclic compounds as NaV channel inhibitors and uses thereof CACNA1B, CACNG6, SCN5A CCR8 3573/4885KDM4E 2066/4885ALDH1A1 3556/4885

“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.