SCHEMBL4044563

SCHEMBL4044563

O=C(C=Cc1ccc(F)cc1)ON1CCC(Cc2ccccc2)(C(=O)NCc2cccc(C(F)(F)F)c2)CC1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 2/20 0.42
NR3C2 P08235 1/20 0.41
NPC1 O15118 1/20 0.40
BCHE P06276 1/20 0.39
ACHE P22303 1/20 0.39
MAPK14 Q16539 1/20 0.39
METAP2 P50579 1/20 0.39
ALDH1A1 P00352 1/20 0.39
TEAD1 P28347 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
KMT2A Q03164 1/20 0.38
CCR1 P32246 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
PLA2G1B P04054 1/20 0.38
PKM P14618 1/20 0.38
ATG4B Q9Y4P1 1/20 0.38
CCR2 P41597 1/20 0.38

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
SCHEMBL2465843 0.88 L3MBTL1 (0.49) TACR1NR3C2NPC1BCHEACHE
SCHEMBL2465842 0.88 L3MBTL1 (0.49) TACR1NR3C2NPC1BCHEACHE
SCHEMBL2467218 0.81 OPRL1 (0.55) NR3C2ALDH1A1
SCHEMBL2469677 0.80 PKLR (0.53) NR3C2NPC1MAPK14ALDH1A1CYP3A4
SCHEMBL2472762 0.78 FFAR1 (0.46) TACR1NR3C2NPC1METAP2KMT2A
SCHEMBL14327394 0.77 SMN1; SMN2 (0.49) TACR1NR3C2MAPK14ALDH1A1KMT2A
SCHEMBL2473957 0.76 TSHR (0.52) ALDH1A1KMT2APLA2G1BPKMATG4B
SCHEMBL2470979 0.74 TACR1 (0.53) TACR1NR3C2NPC1MAPK14KMT2A
SCHEMBL2468456 0.74 FFAR1 (0.49) NR3C2NPC1MAPK14ALDH1A1L3MBTL1
SCHEMBL2468677 0.73 FFAR1 (0.48) NR3C2NPC1MAPK14KMT2ACYP3A4

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-7582654-B2 Heterocyclo inhibitors of potassium channel function BRISTOL-MYERS SQUIBB COMPANY (US) 2009-09-01 US disclosed
US-20060014792-A1 Heterocyclo inhibitors of potassium channel function LLOYD JOHN 2006-01-19 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-20060014792-A1 Heterocyclo inhibitors of potassium channel function KCNJ2, KCNH2, KCNQ5 TACR1 3354/4885NR3C2 4461/4885NPC1 989/4885

“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.