SCHEMBL22809472

SCHEMBL22809472

NCCOc1ccc2cc(C(F)(F)F)ccc2n1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.54
SCN9A Q15858 10/20 0.43
PDE1A P54750 1/20 0.42
PDE1B Q01064 1/20 0.42
PDE4B Q07343 1/20 0.42
PDE7A Q13946 1/20 0.42
SCN7A Q01118 4/20 0.40
KCNH2 Q12809 4/20 0.40
KDM4E B2RXH2 1/20 0.40
SCN5A Q14524 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
SCN10A Q9Y5Y9 2/20 0.38
EPHX2 P34913 1/20 0.38
SCN4A P35499 1/20 0.38

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
Hydrochloric Acid SCHEMBL20595231 0.99 BACE1 (0.53) BACE1SCN9APDE1APDE1BPDE4B
SCHEMBL22809583 0.89 BACE1 (0.41) BACE1SCN9APDE1APDE1BPDE4B
SCHEMBL22809561 0.89 BACE1 (0.41) BACE1SCN9APDE1APDE1BPDE4B
SCHEMBL22809481 0.82 BACE1 (0.47) BACE1SCN9APDE1APDE1BPDE4B
SCHEMBL28350726 0.81 BACE1 (0.47) BACE1SCN9APDE1APDE1BPDE4B
SCHEMBL2001524 0.74 HPGD (0.48) SCN9A
SCHEMBL28354796 0.73 SCN9A (0.48) SCN9ASCN7AKCNH2KDM4ESCN5A
SCHEMBL19732851 0.73 NOS3 (0.50) BACE1
SCHEMBL11351587 0.72 BACE1 (0.51) BACE1SCN9APDE1APDE1BPDE4B
SCHEMBL4008713 0.71 IDO1 (0.47) KDM4EEPHX2

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-11154544-B2 Amide derivatives as Nav1.7 and Nav1.8 blockers RAQUALIA PHARMA INC. (JP) 2021-10-26 US disclosed
EP-3487839-B1 AMIDE DERIVATIVES AS NAV1.7 AND NAV1.8 BLOCKERS RAQUALIA PHARMA INC (JP) 2020-12-23 EP 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 (1 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-11154544-B2 Amide derivatives as Nav1.7 and Nav1.8 blockers SCN8A, SCN7A, SCN1A BACE1 1350/4885SCN9A 9/4885PDE1A 1257/4885

“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.