SCHEMBL17048459

SCHEMBL17048459

O=C(O)C1CN(Cc2cccc(Oc3ccccc3)c2)CCO1

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.62
ALDH1A1 P00352 3/20 0.62
HPGD P15428 1/20 0.62
HTT P42858 1/20 0.62
GRIN2B Q13224 1/20 0.55
LMNA P02545 1/20 0.55
GAA P10253 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
CCR8 P51685 4/20 0.54
CNR2 P34972 1/20 0.53
TDP1 Q9NUW8 1/20 0.52
FAAH O00519 2/20 0.52
DRD4 P21917 2/20 0.50
MGLL Q99685 2/20 0.50
RXRB P28702 1/20 0.48

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
SCHEMBL17108223 0.87 CCR8 (0.68) KDM4EALDH1A1HPGDHTTGRIN2B
SCHEMBL17048422 0.87 CCR8 (0.66) KDM4EALDH1A1HPGDHTTGRIN2B
SCHEMBL17099348 0.87 KDM4E (0.64) KDM4EALDH1A1HPGDHTTGRIN2B
SCHEMBL159384 0.85 DRD4 (0.57) KDM4EALDH1A1HPGDGRIN2BCNR2
SCHEMBL3521678 0.85 DRD4 (0.57) KDM4EALDH1A1HPGDGRIN2BCNR2
SCHEMBL3519935 0.85 DRD4 (0.57) KDM4EALDH1A1HPGDGRIN2BCNR2
SCHEMBL17055902 0.84 GRIN2B (0.56) KDM4EALDH1A1HPGDHTTGRIN2B
SCHEMBL4836218 0.84 DRD4 (0.56) KDM4EALDH1A1HPGDGRIN2BCNR2
Hydrochloric Acid SCHEMBL12610644 0.84 DRD4 (0.56) KDM4EALDH1A1HPGDGRIN2BCNR2
Hydrochloric Acid SCHEMBL12610726 0.84 DRD4 (0.56) KDM4EALDH1A1HPGDGRIN2BCNR2

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 16 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-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 KDM4E 2066/4885ALDH1A1 3556/4885HPGD 1110/4885
US-20150266862-A1 HETEROCYCLIC COMPOUNDS AS NAV CHANNEL INHIBITORS AND USES THEREOF CACNA1B, CACNG6, SCN5A KDM4E 2066/4885ALDH1A1 3556/4885HPGD 1110/4885
US-10377745-B2 Heterocyclic compounds as NaV channel inhibitors and uses thereof CACNA1B, CACNG6, SCN5A KDM4E 2066/4885ALDH1A1 3556/4885HPGD 1110/4885

“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.