SCHEMBL31010282

SCHEMBL31010282

CCn1ccc(C2(C)CC2)n1

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.35
NPC1 O15118 6/20 0.33
RAB9A P51151 6/20 0.33
SMN1; SMN2 Q16637 4/20 0.33
ALDH1A1 P00352 3/20 0.33
TSHR P16473 1/20 0.33
MAPT P10636 1/20 0.33
CYP1A2 P05177 2/20 0.33
CYP2C9 P11712 2/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
KMT2A Q03164 1/20 0.33
GAA P10253 1/20 0.31
POLB P06746 1/20 0.31
ADRA1A P35348 1/20 0.30
JMJD6 Q6NYC1 1/20 0.30

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
SCHEMBL31010294 0.77 ALDH1A1 (0.34) EPHX2NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL31010265 0.74 EPHX2 (0.42) EPHX2NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL21166107 0.73
SCHEMBL21165962 0.69
SCHEMBL29961764 0.69 ALDH1A1 (0.37) EPHX2NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL21166146 0.67 NPC1 (0.60) EPHX2NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL255119 0.66
SCHEMBL21945129 0.65 KCNH2 (0.37) NPC1RAB9ASMN1; SMN2ALDH1A1TSHR
SCHEMBL31010357 0.65 EPHX2 (0.37) EPHX2NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL173859 0.64

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 EPHX2 3174/4885NPC1 4661/4885RAB9A 2096/4885

“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.