SCHEMBL4372421

SCHEMBL4372421

CC(C)(Cc1ccnc(-c2ccc(F)cc2F)c1)N1CCN(C(=O)O)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDK1 Q15118 1/20 0.42
▸ PDK2 Q15119 1/20 0.42
▸ FAAH O00519 5/20 0.42
▸ KMO O15229 2/20 0.41
▸ KDM4A O75164 2/20 0.37
▸ KDM5A P29375 2/20 0.37
▸ KDM4C Q9H3R0 2/20 0.37
▸ KDM5B Q9UGL1 2/20 0.37
▸ CSNK1D P48730 1/20 0.36
▸ CSNK1E P49674 1/20 0.36
▸ CCNT1 O60563 1/20 0.36
▸ CCNA2 P20248 1/20 0.36
▸ CDK2 P24941 1/20 0.36
▸ CDK9 P50750 1/20 0.36
▸ CCNA1 P78396 1/20 0.36
▸ ABL1 P00519 1/20 0.36
▸ BCR P11274 1/20 0.36
▸ KDM1A O60341 1/20 0.35
▸ HDAC1 Q13547 1/20 0.35
▸ EGFR P00533 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
SCHEMBL4358419 0.80 FAAH (0.42) FAAHKMOCSNK1DCSNK1ECCNT1
SCHEMBL4372425 0.75 FAAH (0.40) PDK1PDK2FAAHKMOCCNT1
SCHEMBL14146336 0.70 KMO (0.43) FAAHKMOKDM1AHDAC1GRM5
SCHEMBL3269757 0.68 FAAH (0.60) PDK2FAAHCCNT1CCNA2CDK2
SCHEMBL12369306 0.68 KMO (0.42) KMOKDM1AHDAC1KCNH2
SCHEMBL13754818 0.67 KMO (0.46) FAAHKMOKDM4AKDM5AKDM4C
SCHEMBL4078749 0.67 GCGR (0.44) KMOKCNH2
SCHEMBL29766750 0.65 CCR1 (0.55) FAAHKMOKDM4AKDM5AKDM4C
SCHEMBL503953 0.65 CCR1 (0.55) FAAHKMOKDM4AKDM5AKDM4C
SCHEMBL16910413 0.65 CCR1 (0.55) FAAHKMOKDM4AKDM5AKDM4C

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 PDK1 4312/4885PDK2 4354/4885FAAH 1/4885

“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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