SCHEMBL26933503

SCHEMBL26933503

O=C(O)NC1CC(Oc2ccc(C(F)(F)F)nc2)C1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LIPE Q05469 1/20 0.44
SCN9A Q15858 8/20 0.42
MRGPRX4 Q96LA9 1/20 0.41
HDAC4 P56524 1/20 0.40
CHRNB2 P17787 1/20 0.39
CHRNA4 P43681 1/20 0.39
RAF1 P04049 1/20 0.39
BRAF P15056 1/20 0.39
EPHX2 P34913 1/20 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
SCHEMBL26933497 1.00 LIPE (0.44) LIPESCN9AMRGPRX4HDAC4CHRNB2
SCHEMBL30152490 0.84 EPHX2 (0.44) LIPESCN9ARAF1BRAFEPHX2
SCHEMBL24976933 0.84 EPHX2 (0.44) LIPESCN9ARAF1BRAFEPHX2
SCHEMBL23167949 0.84 EPHX2 (0.44) LIPESCN9ARAF1BRAFEPHX2
SCHEMBL23167947 0.84 EPHX2 (0.44) LIPESCN9ARAF1BRAFEPHX2
SCHEMBL23924384 0.83 GRIN1 (0.48) CHRNB2CHRNA4EPHX2
SCHEMBL21492145 0.83 P2RX3 (0.38) EPHX2
SCHEMBL23924382 0.83 GRIN1 (0.48) CHRNB2CHRNA4EPHX2
SCHEMBL21492239 0.82 CHRNB2 (0.48) SCN9AMRGPRX4CHRNB2CHRNA4
SCHEMBL23923870 0.81 GRIN1 (0.49)

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
EP-4313951-A1 1,3-SUBSTITUTED CYCLOBUTYL DERIVATIVES AND USES THEREOF Novartis AG (CH) 2024-02-07 EP disclosed
US-11845730-B2 1,3-substituted cyclobutyl derivatives and uses thereof CITIBANK, N.A., AS NOTES COLLATERAL AGENT 2023-12-19 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-11845730-B2 1,3-substituted cyclobutyl derivatives and uses thereof TRPV1, TRPV3, TRPV2 LIPE 2955/4885SCN9A 1082/4885MRGPRX4 77/4885

“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.