SCHEMBL3859546

SCHEMBL3859546

CC(C)(Oc1cccc(C(F)(F)F)n1)C(=O)NCCC(=O)c1cccc(Br)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 4/20 0.41
TP53BP1 Q12888 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
HTR1A P08908 4/20 0.36
DRD2 P14416 4/20 0.36
DRD4 P21917 4/20 0.36
KCNH2 Q12809 2/20 0.36
DDR1 Q08345 2/20 0.36
ALDH1A1 P00352 2/20 0.35
POLB P06746 1/20 0.35
KDM4E B2RXH2 1/20 0.35
MAPK1 P28482 1/20 0.35
LMNA P02545 1/20 0.34
LOXL2 Q9Y4K0 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPC1 O15118 1/20 0.34
CASP3 P42574 1/20 0.34
RAB9A P51151 1/20 0.34

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
SCHEMBL4080705 0.79 CNR1 (0.42) CNR1KCNH2ALDH1A1MEN1KMT2A
SCHEMBL4080701 0.79 CNR1 (0.42) CNR1KCNH2ALDH1A1MEN1KMT2A
SCHEMBL237028 0.76 L3MBTL1 (0.49) TP53BP1L3MBTL1ALDH1A1KDM4EMAPK1
SCHEMBL13323959 0.70 L3MBTL1 (0.49) TP53BP1L3MBTL1ALDH1A1KDM4EMAPK1
SCHEMBL23364604 0.64 PARP1 (0.49) TP53BP1L3MBTL1ALDH1A1KDM4EMAPK1
SCHEMBL2791794 0.64 PARP1 (0.49) TP53BP1L3MBTL1ALDH1A1LMNAMEN1
SCHEMBL8790758 0.64 CTNNB1 (0.48) KDM4ELMNAMEN1KMT2ASMN1; SMN2
SCHEMBL20292611 0.64 P2RX7 (0.52) HTR1ADRD2DRD4KCNH2DDR1
SCHEMBL23217892 0.64 PARP1 (0.52) TP53BP1L3MBTL1ALDH1A1MEN1KMT2A
SCHEMBL13020000 0.63 IDH1 (0.42) LOXL2LOX

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1575901-A4 SUBSTITUTED AMIDES MERCK & CO INC (US) 2009-03-18 EP disclosed
US-7348456-B2 Substituted amides MERCK & CO., INC. (US) 2008-03-25 US disclosed
US-20060106071-A1 Substituted amides MERCK SHARP & DOHME CORP. 2006-05-18 US disclosed
EP-1575901-A2 SUBSTITUTED AMIDES Merck & Co., Inc. (a New Jersey corp.) (US) 2005-09-21 EP disclosed
WO-2004058145-A2 SUBSTITUTED AMIDES MERCK & CO., INC. (US) 2004-07-15 WO 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-20060106071-A1 Substituted amides CNR1, CNR2, FAAH CNR1 1/4885TP53BP1 3883/4885L3MBTL1 3168/4885

“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.