SCHEMBL25295986

SCHEMBL25295986

O=C1N[C@H](CCC(=O)N2CC3(CCN(Cc4ccc(S(=O)(=O)C(F)(F)F)cc4)CC3)C2)CO1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ TEAD1 P28347 1/20 0.38
▸ GPR183 P32249 10/20 0.37
▸ USP2 O75604 8/20 0.35
▸ CYP3A4 P08684 4/20 0.35
▸ TSHR P16473 4/20 0.35
▸ CYP2D6 P10635 4/20 0.35
▸ CYP1A2 P05177 3/20 0.35
▸ SMN1; SMN2 Q16637 4/20 0.34
▸ CYP2C9 P11712 2/20 0.34
▸ CYP2C19 P33261 2/20 0.34
▸ ABCC1 P33527 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33

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
SCHEMBL25258066 0.92 TEAD1 (0.35) TEAD1USP2CYP3A4TSHRCYP2D6
SCHEMBL25298279 0.90 USP2 (0.37) GPR183USP2CYP3A4TSHRCYP2D6
SCHEMBL25297736 0.89 LMNA (0.38) GPR183CYP3A4TSHRCYP2D6CYP1A2
SCHEMBL29497053 0.86 MGLL (0.41) GPR183USP2CYP3A4TSHRCYP2D6
SCHEMBL25292205 0.86 MGLL (0.41) GPR183USP2CYP3A4TSHRCYP2D6
SCHEMBL29497103 0.81 DRD2 (0.38) USP2CYP3A4TSHRCYP2D6CYP1A2
SCHEMBL25301321 0.81 DRD2 (0.38) USP2CYP3A4TSHRCYP2D6CYP1A2
SCHEMBL25251927 0.77 LMNA (0.33) SMN1; SMN2
SCHEMBL25296988 0.77 PRCP (0.38) TEAD1GPR183USP2CYP3A4TSHR
SCHEMBL25262919 0.77 ENPP2 (0.39) GPR183

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 8 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 claimed
EP-4208456-A1 HETEROCYCLIC COMPOUNDS F. Hoffmann-La Roche AG (CH) 2023-07-12 — — EP claimed
CN-115989228-A Heterocyclic compounds 豪夫迈·罗氏有限公司 2023-04-18 — — CN claimed
US-20220098176-A1 HETEROCYCLIC COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2022-03-31 — — US claimed
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
CN-115989228-A Heterocyclic compounds 豪夫迈·罗氏有限公司 2023-04-18 — — CN 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 TEAD1 3855/4885GPR183 1629/4885USP2 3410/4885
US-11981661-B2 Heterocyclic compounds CBR3, BRIX1, CCNY TEAD1 3855/4885GPR183 1629/4885USP2 3410/4885

“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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