SCHEMBL2474044

SCHEMBL2474044

O=C(CC1(c2ccccc2)CCN(C(=O)c2cc(F)c(F)cc2F)CC1)NCCc1ccccc1F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 2/20 0.41
TAAR1 Q96RJ0 4/20 0.39
NPC1 O15118 1/20 0.39
PAX8 Q06710 1/20 0.39
KLF5 Q13887 1/20 0.39
RIPK1 Q13546 1/20 0.38
KDM4E B2RXH2 3/20 0.38
ALDH1A1 P00352 3/20 0.38
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38
KMT2A Q03164 4/20 0.38
MEN1 O00255 3/20 0.38
RAB9A P51151 1/20 0.38
DPP4 P27487 2/20 0.37
HSD17B10 Q99714 1/20 0.37
PKM P14618 2/20 0.37
NAMPT P43490 1/20 0.37
PKLR P30613 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
HTR2A P28223 1/20 0.36

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
SCHEMBL4038012 0.91 HTR2A (0.45) CNR1TAAR1NPC1RIPK1KDM4E
SCHEMBL2465687 0.89 HPGD (0.46) TAAR1NPC1RIPK1KDM4EALDH1A1
SCHEMBL2473653 0.85 KMT2A (0.47) TAAR1NPC1PAX8KLF5RIPK1
SCHEMBL14327417 0.85 KMT2A (0.53) CNR1TAAR1KDM4EALDH1A1KMT2A
SCHEMBL2472016 0.82 KMT2A (0.47) TAAR1NPC1KDM4EALDH1A1KMT2A
SCHEMBL2468007 0.80 MCHR1 (0.45) TAAR1NPC1KDM4EALDH1A1HTT
SCHEMBL2467016 0.80 LTA4H (0.43) TAAR1KDM4EALDH1A1LMNAKMT2A
SCHEMBL2469517 0.79 TAAR1 (0.47) TAAR1KDM4EALDH1A1KMT2AMEN1
SCHEMBL2469492 0.78 TAAR1 (0.45) CNR1TAAR1NPC1PAX8KLF5
SCHEMBL2468169 0.78 NPC1 (0.42) CNR1NPC1KDM4EALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2228065-B1 Heterocyclo inhibitors of potassium channel function BRISTOL MYERS SQUIBB CO (US) 2012-12-26 EP disclosed
EP-1501467-B1 HETEROCYCLO INHIBITORS OF POTASSIUM CHANNEL FUNCTION BRISTOL MYERS SQUIBB CO (US) 2012-05-09 EP disclosed
EP-2371366-A1 Heterocyclo inhibitors of potassium channel function Bristol-Myers Squibb Company (US) 2011-10-05 EP disclosed
EP-2228065-A2 Heterocyclo inhibitors of potassium channel function Bristol-Myers Squibb Company (US) 2010-09-15 EP disclosed
US-20090312307-A1 HETEROCYCLO INHIBITORS OF POTASSIUM CHANNEL FUNCTION BRISTOL-MYERS SQUIBB COMPANY 2009-12-17 US disclosed
US-20090312307-A1 HETEROCYCLO INHIBITORS OF POTASSIUM CHANNEL FUNCTION BRISTOL-MYERS SQUIBB COMPANY 2009-12-17 US disclosed
US-20090312307-A1 HETEROCYCLO INHIBITORS OF POTASSIUM CHANNEL FUNCTION BRISTOL-MYERS SQUIBB COMPANY 2009-12-17 US disclosed
US-7582654-B2 Heterocyclo inhibitors of potassium channel function BRISTOL-MYERS SQUIBB COMPANY (US) 2009-09-01 US disclosed
US-7582654-B2 Heterocyclo inhibitors of potassium channel function BRISTOL-MYERS SQUIBB COMPANY (US) 2009-09-01 US disclosed
US-7582654-B2 Heterocyclo inhibitors of potassium channel function BRISTOL-MYERS SQUIBB COMPANY (US) 2009-09-01 US disclosed
US-7005436-B2 Heterocyclo inhibitors of potassium channel function BRISTOL MYERS SQUIBB COMPANY (US) 2006-02-28 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 (2 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 CNR1 1175/4885TAAR1 2450/4885NPC1 989/4885
US-20090312307-A1 HETEROCYCLO INHIBITORS OF POTASSIUM CHANNEL FUNCTION KCNJ2, KCNH2, KCNQ5 CNR1 1175/4885TAAR1 2450/4885NPC1 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.