SCHEMBL25253992

SCHEMBL25253992

O=C(O)N1CC2(C1)CN(S(=O)(=O)c1ccccc1OC(F)(F)F)C2

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CHRM1 P11229 1/20 0.48
▸ LIPE Q05469 3/20 0.44
▸ AKR1C3 P42330 1/20 0.43
▸ SPR P35270 1/20 0.40
▸ KDM2B Q8NHM5 1/20 0.40
▸ RORC P51449 1/20 0.39
▸ MMP2 P08253 1/20 0.36
▸ MMP13 P45452 1/20 0.36
▸ EPHX2 P34913 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ ABHD6 Q9BV23 2/20 0.35
▸ MGLL Q99685 1/20 0.35
▸ HCRTR1 O43613 1/20 0.35
▸ HCRTR2 O43614 1/20 0.35
▸ HSD11B1 P28845 1/20 0.35
▸ HSD11B2 P80365 1/20 0.35
▸ CCR1 P32246 1/20 0.35
▸ USP9X Q93008 1/20 0.35

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
SCHEMBL25292328 0.87 CHRM1 (0.46) CHRM1LIPEAKR1C3SPRKDM2B
SCHEMBL25253193 0.81 LIPE (0.44) CHRM1LIPEAKR1C3SPRKDM2B
SCHEMBL30409361 0.80 MGLL (0.43) CHRM1LIPEAKR1C3SPRKDM2B
SCHEMBL30409535 0.79 CHRM1 (0.40) CHRM1LIPEAKR1C3SPRRORC
SCHEMBL25251545 0.78 MEN1 (0.48) LIPEAKR1C3EPHX2MEN1KMT2A
SCHEMBL25322792 0.77 AKR1C3 (0.42) CHRM1LIPEAKR1C3SPRKDM2B
SCHEMBL25255840 0.76 SCN9A (0.46) LIPEAKR1C3KDM2BRORCEPHX2
SCHEMBL18711904 0.75 CHRM1 (0.54) CHRM1LIPEAKR1C3SPRKDM2B
SCHEMBL11888909 0.75 LIPE (0.50) CHRM1LIPEAKR1C3SPRKDM2B
SCHEMBL24754403 0.74 CHRM1 (0.53) CHRM1LIPEAKR1C3MMP2MMP13

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 CHRM1 758/4885LIPE 2733/4885AKR1C3 159/4885

“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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