SCHEMBL19206087

SCHEMBL19206087

Cc1cncc(Oc2cccc(CN3CCCC3)c2)n1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TRPV6 Q9H1D0 1/20 0.50
ALDH1A1 P00352 6/20 0.48
KDM4E B2RXH2 4/20 0.48
TDP1 Q9NUW8 2/20 0.48
CASP1 P29466 1/20 0.46
CASP4 P49662 1/20 0.46
CASP5 P51878 1/20 0.46
HPGD P15428 1/20 0.45
HTT P42858 1/20 0.45
SIGMAR1 Q99720 1/20 0.45
PRMT6 Q96LA8 1/20 0.43
CHRNB2 P17787 1/20 0.43
CHRNA4 P43681 1/20 0.43
GAA P10253 1/20 0.42
PDE2A O00408 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
CCR8 P51685 1/20 0.42

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
SCHEMBL17099430 0.81 CCR8 (0.53) ALDH1A1KDM4ECCR8
SCHEMBL18617334 0.80 JAK2 (0.44) ALDH1A1KDM4ETDP1SMN1; SMN2
SCHEMBL18586073 0.79 F10 (0.44)
SCHEMBL2456498 0.77 PRMT6 (0.43) ALDH1A1KDM4EHPGDHTTPRMT6
SCHEMBL20672043 0.77 IGF1R (0.36) ALDH1A1KDM4E
SCHEMBL19206094 0.76 ALDH1A1 (0.61) TRPV6ALDH1A1KDM4ETDP1HPGD
SCHEMBL19206091 0.76 TRPV6 (0.74) TRPV6ALDH1A1KDM4ETDP1HPGD
SCHEMBL19206089 0.75 ALDH1A1 (0.59) TRPV6ALDH1A1KDM4ETDP1HPGD
SCHEMBL19206092 0.75 ALDH1A1 (0.63) TRPV6ALDH1A1KDM4ETDP1HPGD
SCHEMBL19206080 0.74 LTA4H (0.56) TRPV6ALDH1A1KDM4ETDP1HPGD

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 TRPV6 9/4885ALDH1A1 3556/4885KDM4E 2066/4885
US-10377745-B2 Heterocyclic compounds as NaV channel inhibitors and uses thereof CACNA1B, CACNG6, SCN5A TRPV6 9/4885ALDH1A1 3556/4885KDM4E 2066/4885

“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.