SCHEMBL26098462

SCHEMBL26098462

COc1c(CNC(=O)NC2CC3(CC3)C2)cccc1C(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ P2RX7 Q99572 15/20 0.40
▸ KDM4E B2RXH2 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ EPHX2 P34913 1/20 0.39
▸ RORC P51449 1/20 0.38
▸ CTSS P25774 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
SCHEMBL26099291 0.96 EPHX2 (0.40) P2RX7KDM4ELMNASMN1; SMN2EPHX2
SCHEMBL30116965 0.84 P2RX7 (0.49) P2RX7EPHX2
SCHEMBL30116984 0.83 P2RX7 (0.54) P2RX7
SCHEMBL30116961 0.80 P2RX7 (0.47) P2RX7EPHX2
SCHEMBL26099758 0.79 CTSS (0.39) P2RX7LMNASMN1; SMN2EPHX2CTSS
SCHEMBL26101269 0.76 HDAC3 (0.47) KDM4ELMNASMN1; SMN2
SCHEMBL26100237 0.75 CTSS (0.37) LMNASMN1; SMN2EPHX2CTSS
SCHEMBL30117005 0.75 EPHX2 (0.40) P2RX7EPHX2
SCHEMBL30116993 0.71 MLYCD (0.51) P2RX7KDM4ELMNA
SCHEMBL30116981 0.71 CYP3A4 (0.40) P2RX7EPHX2

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
US-20230136562-A1 SPIROUREA DERIVATIVES IDORSIA PHARMACEUTICALS LTD (CH) 2023-05-04 — — US claimed
CN-115461327-A Spiro urea derivatives 爱杜西亚药品有限公司 2022-12-09 — — CN claimed
CN-115461327-A Spiro urea derivatives 爱杜西亚药品有限公司 2022-12-09 — — CN 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-20230136562-A1 SPIROUREA DERIVATIVES KCNA7, PKD2, KCNN3 P2RX7 81/4885KDM4E 2078/4885LMNA 894/4885

“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.

Send feedback