SCHEMBL23850259

SCHEMBL23850259

O=C(O)N1CCC2(CN(Cc3ccc(C(F)(F)F)cc3F)C2)C1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ USP2 O75604 9/20 0.49
▸ FAAH O00519 1/20 0.48
▸ HPGD P15428 1/20 0.48
▸ ALDH1A1 P00352 2/20 0.46
▸ TSHR P16473 2/20 0.46
▸ GPR183 P32249 1/20 0.46
▸ CYP3A4 P08684 3/20 0.46
▸ CYP2D6 P10635 3/20 0.46
▸ SMN1; SMN2 Q16637 3/20 0.46
▸ CYP2C19 P33261 3/20 0.45
▸ CYP1A2 P05177 2/20 0.45
▸ CYP2C9 P11712 2/20 0.45
▸ MGLL Q99685 2/20 0.45
▸ ENPP2 Q13822 3/20 0.44
▸ ATXN2 Q99700 3/20 0.44
▸ FFAR4 Q5NUL3 1/20 0.43

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
SCHEMBL23850291 0.94 FAAH (0.52) USP2FAAHHPGDALDH1A1TSHR
SCHEMBL23850564 0.94 USP2 (0.53) USP2FAAHHPGDALDH1A1TSHR
SCHEMBL25253780 0.90 FAAH (0.47) USP2FAAHHPGDTSHRGPR183
SCHEMBL23850275 0.85 RORC (0.57) USP2FAAHHPGDALDH1A1TSHR
SCHEMBL23850251 0.82 RORC (0.51) USP2HPGDALDH1A1TSHRGPR183
SCHEMBL23850533 0.80 RORC (0.52) USP2FAAHHPGDALDH1A1TSHR
SCHEMBL23850532 0.78 RORC (0.55) USP2HPGDALDH1A1TSHRCYP2D6
SCHEMBL25258995 0.78 RORC (0.47) USP2ALDH1A1TSHRGPR183CYP3A4
SCHEMBL30700512 0.77 FAAH (0.44) USP2FAAHHPGDALDH1A1TSHR
SCHEMBL30700370 0.77 FAAH (0.44) USP2FAAHHPGDALDH1A1TSHR

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
EP-3883936-B1 NEW HETEROCYCLIC COMPOUNDS HOFFMANN LA ROCHE (CH) 2023-07-12 — — EP disclosed
US-20210387999-A1 HETEROCYCLIC COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2021-12-16 — — US disclosed
EP-3883936-A1 NEW HETEROCYCLIC COMPOUNDS F. Hoffmann-La Roche AG (CH) 2021-09-29 — — 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-20210387999-A1 HETEROCYCLIC COMPOUNDS CYP1B1, CYP4B1, CYP4X1 USP2 3083/4885FAAH 1638/4885HPGD 1134/4885

“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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