SCHEMBL21680269

SCHEMBL21680269

O=C(O)N1CCC(CCO)(c2ccc(Cl)cc2)CC1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 6/20 0.52
CYP2D6 P10635 1/20 0.52
KMT2A Q03164 2/20 0.44
TET3 O43151 1/20 0.44
FBXL19 Q6PCT2 1/20 0.44
CXXC5 Q7LFL8 1/20 0.44
KDM2B Q8NHM5 1/20 0.44
CXXC4 Q9H2H0 1/20 0.44
KDM2A Q9Y2K7 1/20 0.44
HSD11B1 P28845 9/20 0.43
CYP2C8 P10632 1/20 0.40
MEN1 O00255 1/20 0.40
P2RX7 Q99572 1/20 0.39
ALDH1A1 P00352 2/20 0.39

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
SCHEMBL3932199 0.84 SLC6A4 (0.57) EPHX2KMT2ATET3FBXL19CXXC5
SCHEMBL21680273 0.81 SLC6A3 (0.45) EPHX2CYP2D6
SCHEMBL8119487 0.81 EPHX2 (0.57) EPHX2CYP2D6KMT2ACYP2C8MEN1
SCHEMBL28077722 0.81 KMT2A (0.43) EPHX2CYP2D6KMT2ATET3FBXL19
SCHEMBL10726449 0.81 SLC6A4 (0.48) EPHX2CYP2D6HSD11B1P2RX7ALDH1A1
SCHEMBL16565439 0.80 MEN1 (0.51) EPHX2CYP2D6KMT2AMEN1
SCHEMBL21078155 0.80 EPHX2 (0.43) EPHX2CYP2D6HSD11B1P2RX7
SCHEMBL16565214 0.80 P2RX7 (0.50) EPHX2CYP2D6KMT2AP2RX7ALDH1A1
SCHEMBL3929243 0.80 SLC6A4 (0.60) KMT2ATET3FBXL19CXXC5KDM2B
SCHEMBL16553797 0.77 EPHX2 (0.41) EPHX2CYP2D6HSD11B1P2RX7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3532462-B1 ACYL SULFONAMIDE NAV1.7 INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2021-10-13 EP disclosed
US-10836758-B2 Acyl sulfonamide NaV1.7 inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2020-11-17 US disclosed
US-20200048240-A1 ACYL SULFONAMIDE NAV1.7 INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2020-02-13 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-10836758-B2 Acyl sulfonamide NaV1.7 inhibitors SCN7A, SCN1A, SCN8A EPHX2 3339/4885CYP2D6 806/4885KMT2A 1848/4885
US-20200048240-A1 ACYL SULFONAMIDE NAV1.7 INHIBITORS SCN7A, SCN1A, SCN8A EPHX2 3339/4885CYP2D6 806/4885KMT2A 1848/4885

“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.