SCHEMBL19206090

SCHEMBL19206090

Cc1cccc(Oc2cccc(CN3CCC(F)C3)c2)c1

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CCR8 P51685 4/20 0.51
KDM4E B2RXH2 3/20 0.50
ALDH1A1 P00352 3/20 0.50
TDP1 Q9NUW8 1/20 0.50
BCHE P06276 1/20 0.47
HPGD P15428 1/20 0.47
HTT P42858 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47

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
SCHEMBL19206066 0.91 DRD2 (0.53) CCR8KDM4EALDH1A1TDP1HPGD
SCHEMBL19206077 0.87 CCR8 (0.51) CCR8KDM4EALDH1A1TDP1BCHE
SCHEMBL19206067 0.87 SIGMAR1 (0.57) KDM4EALDH1A1TDP1MEN1KMT2A
SCHEMBL19206072 0.84 ALDH1A1 (0.48) CCR8KDM4EALDH1A1TDP1HPGD
SCHEMBL19206073 0.83 ALDH1A1 (0.51) CCR8KDM4EALDH1A1TDP1HPGD
SCHEMBL17099387 0.82 CCR8 (0.63) CCR8KDM4EALDH1A1MEN1KMT2A
SCHEMBL19206094 0.81 ALDH1A1 (0.61) CCR8KDM4EALDH1A1TDP1HPGD
SCHEMBL12447 0.79 BACE1 (0.59) KDM4EALDH1A1BCHEHTTMEN1
SCHEMBL17099422 0.76 CCR8 (0.62) CCR8KDM4EALDH1A1MEN1KMT2A
SCHEMBL17099358 0.76 KDM4E (0.63) CCR8KDM4EALDH1A1TDP1HPGD

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 2 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-20170233377-A1 HETEROCYCLIC COMPOUNDS AS NAV CHANNEL INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2017-08-17 US 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-20170233377-A1 HETEROCYCLIC COMPOUNDS AS NAV CHANNEL INHIBITORS AND USES THEREOF CACNA1B, CACNG6, SCN5A CCR8 3573/4885KDM4E 2066/4885ALDH1A1 3556/4885
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.