SCHEMBL25301341

SCHEMBL25301341

O=C(O)N1CC(c2ccc(-c3ccc(Cl)cc3Cl)cn2)C1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 7/20 0.45
MARS1 P56192 7/20 0.43
SRD5A2 P31213 1/20 0.43
ALPL P05186 3/20 0.41
CNR2 P34972 1/20 0.41
MGLL Q99685 1/20 0.40
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL25252769 0.88 FASN (0.44) CNR1MGLL
SCHEMBL25292260 0.84 PTGS2 (0.48) RAB9A
SCHEMBL25256703 0.84 PTGS2 (0.43) CNR1KMT2A
SCHEMBL29497024 0.83 RET (0.43) CNR1CNR2MEN1KMT2A
SCHEMBL25254039 0.83 RET (0.43) CNR1CNR2MEN1KMT2A
SCHEMBL23211853 0.82 SCD5 (0.45) CNR2NPC1RAB9A
SCHEMBL30700130 0.80 MGLL (0.49) CNR1ALPLCNR2MGLL
SCHEMBL25257284 0.78 KMT2A (0.42) MARS1SRD5A2ALPLMEN1KMT2A
SCHEMBL29497108 0.75 MGLL (0.38) CNR1MARS1ALPLCNR2MGLL
SCHEMBL5236075 0.75 CNR2 (0.54) CNR1CNR2MGLL

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 CNR1 136/4885MARS1 1800/4885SRD5A2 1583/4885

“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.