SCHEMBL19206067

SCHEMBL19206067

COc1cccc(Oc2cccc(CN3CCC(F)C3)c2)c1

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.57
KDM4E B2RXH2 4/20 0.54
ALDH1A1 P00352 4/20 0.54
MAPT P10636 1/20 0.53
FAAH O00519 1/20 0.51
TACR1 P25103 2/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
TDP1 Q9NUW8 1/20 0.50
OPRM1 P35372 1/20 0.50
GAA P10253 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
SCHEMBL19206090 0.87 CCR8 (0.51) KDM4EALDH1A1MEN1KMT2ATDP1
SCHEMBL19206066 0.86 DRD2 (0.53) KDM4EALDH1A1FAAHTDP1
SCHEMBL19206072 0.84 ALDH1A1 (0.48) KDM4EALDH1A1TDP1
SCHEMBL19206073 0.83 ALDH1A1 (0.51) KDM4EALDH1A1TACR1TDP1
SCHEMBL17967846 0.83 SIGMAR1 (0.61) SIGMAR1KDM4EALDH1A1MAPTTACR1
SCHEMBL6416770 0.83 SIGMAR1 (0.61) SIGMAR1KDM4EALDH1A1MAPTTACR1
SCHEMBL17099350 0.82 KDM4E (0.62) SIGMAR1KDM4EALDH1A1MAPTFAAH
Hydrochloric Acid SCHEMBL4223875 0.82 SIGMAR1 (0.59) SIGMAR1KDM4EALDH1A1MAPTTACR1
SCHEMBL19206069 0.81 SIGMAR1 (0.70) SIGMAR1KDM4EALDH1A1MAPTFAAH
SCHEMBL12951977 0.80 SIGMAR1 (0.61) SIGMAR1KDM4EALDH1A1MAPTTACR1

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 SIGMAR1 2684/4885KDM4E 2066/4885ALDH1A1 3556/4885
US-10377745-B2 Heterocyclic compounds as NaV channel inhibitors and uses thereof CACNA1B, CACNG6, SCN5A SIGMAR1 2684/4885KDM4E 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.