SCHEMBL25296539

SCHEMBL25296539

CC(C)(C)OC(=O)N1CC2(CCN(S(=O)(=O)c3ccc(C(F)(F)F)cc3F)CC2)C1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ F13A1 P00488 3/20 0.50
▸ TGM2 P21980 3/20 0.50
▸ TGM1 P22735 3/20 0.50
▸ CACNA1B Q00975 3/20 0.47
▸ GPR119 Q8TDV5 4/20 0.44
▸ MAPT P10636 1/20 0.43
▸ RORC P51449 3/20 0.42
▸ HDAC1 Q13547 1/20 0.42
▸ HDAC2 Q92769 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.41
▸ GPR183 P32249 1/20 0.41
▸ SPR P35270 1/20 0.40
▸ STS P08842 1/20 0.40
▸ SCD5 Q86SK9 1/20 0.40
▸ TGM3 Q08188 1/20 0.40

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
SCHEMBL30490344 0.92 F13A1 (0.48) F13A1TGM2TGM1CACNA1BGPR119
SCHEMBL25253376 0.86 CACNA1B (0.48) CACNA1BALDH1A1SPR
SCHEMBL25258995 0.80 RORC (0.47) RORCALDH1A1GPR183
SCHEMBL25371482 0.79 EPHX2 (0.60) F13A1TGM2TGM1
SCHEMBL26064728 0.79 NAMPT (0.43) F13A1TGM2TGM1GPR119RORC
SCHEMBL23850261 0.78 TRPV4 (0.44) CACNA1BALDH1A1
SCHEMBL30409323 0.78 MGLL (0.43) CACNA1BALDH1A1
SCHEMBL25146124 0.78 MGLL (0.43) CACNA1BALDH1A1
SCHEMBL23850257 0.78 TGM2 (0.50) F13A1TGM2TGM1GPR119MAPT
SCHEMBL25145672 0.77 MEN1 (0.46) CACNA1BMAPTALDH1A1SPR

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-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
US-20220098176-A1 HETEROCYCLIC COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2022-03-31 — — 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-20220098176-A1 HETEROCYCLIC COMPOUNDS CBR3, BRIX1, CCNY F13A1 525/4885TGM2 4571/4885TGM1 3547/4885
US-11981661-B2 Heterocyclic compounds CBR3, BRIX1, CCNY F13A1 525/4885TGM2 4571/4885TGM1 3547/4885

“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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