SCHEMBL4372425

SCHEMBL4372425

CC(C)(Cc1ccnc(-c2ccc(F)cc2F)c1)OC(=O)N1CCNCC1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ FAAH O00519 3/20 0.40
▸ PDK1 Q15118 1/20 0.38
▸ PDK2 Q15119 1/20 0.38
▸ CCNT1 O60563 2/20 0.38
▸ CDK9 P50750 2/20 0.38
▸ CCNA2 P20248 1/20 0.38
▸ CDK2 P24941 1/20 0.38
▸ CCNA1 P78396 1/20 0.38
▸ GPR119 Q8TDV5 5/20 0.37
▸ KMO O15229 2/20 0.36
▸ PARP1 P09874 2/20 0.36
▸ PDE4B Q07343 1/20 0.36
▸ HDAC6 Q9UBN7 1/20 0.36
▸ REN P00797 1/20 0.35
▸ ALPL P05186 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
SCHEMBL4358423 0.81 FAAH (0.40) FAAHCCNT1CDK9CCNA2CDK2
SCHEMBL4372421 0.75 PDK1 (0.42) FAAHPDK1PDK2CCNT1CDK9
SCHEMBL3269757 0.73 FAAH (0.60) FAAHPDK2CCNT1CDK9CCNA2
SCHEMBL29155320 0.71 SIGMAR1 (0.45) GPR119
SCHEMBL7383181 0.70 CYP3A4 (0.40) —
SCHEMBL30020659 0.70 NAMPT (0.46) GPR119
SCHEMBL3269713 0.69 FAAH (0.61) FAAHCCNT1CDK9CCNA2CDK2
SCHEMBL30254155 0.69 ALDH1A1 (0.45) GPR119
SCHEMBL3274902 0.68 FAAH (0.53) FAAHKMO
SCHEMBL3267984 0.67 FAAH (0.59) FAAHGPR119KMO

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090163508-A1 AMIDE COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-25 — — 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 (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-20090163508-A1 AMIDE COMPOUND FAAH, FAAH2, NAAA FAAH 1/4885PDK1 4312/4885PDK2 4354/4885

“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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