SCHEMBL25259825

SCHEMBL25259825

O=C(O)N1CC2(C1)CN(S(=O)(=O)c1ccc(C(F)(F)F)cc1)C2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.47
▸ EPHX2 P34913 3/20 0.46
▸ GAA P10253 3/20 0.45
▸ CNR1 P21554 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ TRPV4 Q9HBA0 3/20 0.42
▸ L3MBTL1 Q9Y468 2/20 0.42
▸ CACNA1B Q00975 1/20 0.41
▸ HDAC6 Q9UBN7 2/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ PKM P14618 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ HDAC1 Q13547 2/20 0.41
▸ HDAC3 O15379 1/20 0.41
▸ HDAC4 P56524 1/20 0.41
▸ HDAC7 Q8WUI4 1/20 0.41
▸ HDAC2 Q92769 1/20 0.41

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
SCHEMBL23849996 0.88 ALDH1A1 (0.47) ALDH1A1EPHX2GAACNR1MEN1
SCHEMBL25298280 0.83 HSD11B1 (0.49) ALDH1A1GAA
SCHEMBL25251545 0.83 MEN1 (0.48) EPHX2MEN1KMT2AHDAC6HDAC1
SCHEMBL18396700 0.81 KMT2A (0.50) ALDH1A1GAAMEN1KMT2APKM
SCHEMBL23850261 0.81 TRPV4 (0.44) ALDH1A1MEN1KMT2ATRPV4L3MBTL1
SCHEMBL25260648 0.78 ALDH1A1 (0.50) ALDH1A1EPHX2GAACNR1KDM4E
SCHEMBL25371394 0.76 TRPV4 (0.44) GAAKDM4EKMT2ATRPV4CACNA1B
SCHEMBL23850257 0.75 TGM2 (0.50) GAA
Hydrochloric Acid SCHEMBL23850061 0.75 ALDH1A1 (0.47) ALDH1A1EPHX2GAAKDM4EMEN1
SCHEMBL25255840 0.74 SCN9A (0.46) EPHX2MEN1KMT2ACACNA1B

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
US-11981661-B2 Heterocyclic compounds HOFFMANN-LA ROCHE INC. (US) 2024-05-14 — — US disclosed
EP-4208456-A1 HETEROCYCLIC COMPOUNDS F. Hoffmann-La Roche AG (CH) 2023-07-12 — — EP 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-11981661-B2 Heterocyclic compounds CBR3, BRIX1, CCNY ALDH1A1 1218/4885EPHX2 259/4885GAA 1823/4885

“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.

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