SCHEMBL25296236

SCHEMBL25296236

O=C(O)N1CC(c2ccc(-c3ccc(Cl)cc3F)cc2)C1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FASN P49327 2/20 0.50
CYP3A4 P08684 3/20 0.46
CYP2C9 P11712 2/20 0.46
APP P05067 2/20 0.46
MGLL Q99685 1/20 0.43
CYP2D6 P10635 1/20 0.42
CYP2C19 P33261 1/20 0.42
KMO O15229 2/20 0.39
MCHR1 Q99705 1/20 0.38
AKR1C3 P42330 1/20 0.38
AKR1C2 P52895 1/20 0.38
AKR1C1 Q04828 1/20 0.38
PDE4A P27815 2/20 0.37
PDE4B Q07343 2/20 0.37
PDE4C Q08493 2/20 0.37
PDE4D Q08499 1/20 0.37
PRKAB2 O43741 1/20 0.37
PRKAG1 P54619 1/20 0.37
PRKAA2 P54646 1/20 0.37
PRKAA1 Q13131 1/20 0.37

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
SCHEMBL23150548 0.86 CYP3A4 (0.48) CYP3A4CYP2C9APPCYP2D6CYP2C19
SCHEMBL25252769 0.83 FASN (0.44) FASNMGLLKMOPDE4APDE4B
SCHEMBL25297814 0.82 USP30 (0.51) FASNCYP3A4CYP2C9APP
SCHEMBL25298297 0.81 FASN (0.42) FASNMGLLKMOAKR1C3AKR1C2
SCHEMBL25301435 0.81 MGLL (0.41) CYP3A4CYP2C9APPMGLLPRKAB2
SCHEMBL25295004 0.80 PTGDR2 (0.44) CYP3A4CYP2C9MGLLPRKAB2PRKAG1
SCHEMBL25260686 0.80 FPR1 (0.39) FASNCYP3A4CYP2C9KMOGRM2
SCHEMBL23453444 0.80 SMN1; SMN2 (0.49)
SCHEMBL12820065 0.78 CYP3A4 (0.46) FASNCYP3A4CYP2C9APPCYP2D6
SCHEMBL23211920 0.74 SCD5 (0.41) MGLLAKR1C3AKR1C1PRKAB2PRKAG1

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 FASN 3629/4885CYP3A4 51/4885CYP2C9 26/4885

“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.