SCHEMBL31010294

SCHEMBL31010294

CCn1ccc(C2(OC)CC2)n1

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.34
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
KMT2A Q03164 1/20 0.33
EPHX2 P34913 1/20 0.33
RAB9A P51151 3/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
NPC1 O15118 2/20 0.31
TSHR P16473 1/20 0.31
JMJD6 Q6NYC1 1/20 0.31
MAPT P10636 1/20 0.31

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
SCHEMBL31010282 0.77 EPHX2 (0.35) ALDH1A1CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL31010265 0.70 EPHX2 (0.42) ALDH1A1CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL31010381 0.67
SCHEMBL29961764 0.66 ALDH1A1 (0.37) ALDH1A1CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL22912519 0.63 ALDH1A1 (0.37) ALDH1A1CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL29168238 0.62 MPO (0.31) ALDH1A1
SCHEMBL255119 0.62
SCHEMBL21945129 0.62 KCNH2 (0.37) ALDH1A1CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL31010357 0.61 EPHX2 (0.37) ALDH1A1CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL173859 0.61

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240252473-A1 Sulfoximines as inhibitors of NaV1.8 GRUENENTHAL GMBH (DE) 2024-08-01 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 (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-20240252473-A1 Sulfoximines as inhibitors of NaV1.8 SCN8A, SCN10A, SCN7A ALDH1A1 915/4885CYP1A2 1391/4885CYP2D6 913/4885

“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.