SCHEMBL2471741

SCHEMBL2471741

COc1ccccc1CNC(=O)C1(c2ccccc2)CCN(C(=O)c2ccccc2F)CC1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.48
CYP3A4 P08684 2/20 0.48
NPC1 O15118 1/20 0.48
GRIN2B Q13224 1/20 0.46
MEN1 O00255 1/20 0.46
RAB9A P51151 1/20 0.46
KMT2A Q03164 1/20 0.46
HPGD P15428 1/20 0.46
PLA2G1B P04054 1/20 0.45
ATG4B Q9Y4P1 1/20 0.45
CYP2D6 P10635 7/20 0.44
PKM P14618 2/20 0.43
CHRM5 P08912 1/20 0.43
CHRM3 P20309 1/20 0.43
POLB P06746 1/20 0.43
USP2 O75604 1/20 0.43
KDM4E B2RXH2 1/20 0.43
LMNA P02545 1/20 0.43
HTT P42858 1/20 0.43

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
SCHEMBL2467331 0.90 TAS1R3 (0.48) ALDH1A1MEN1KMT2AHPGDPKM
SCHEMBL2465588 0.85 KCNH2 (0.56) ALDH1A1NPC1RAB9AKMT2APKM
SCHEMBL14312303 0.85 ALDH1A1 (0.47) ALDH1A1CYP3A4NPC1GRIN2BHPGD
SCHEMBL4036177 0.84 CYP2D6 (0.53) ALDH1A1MEN1KMT2ACYP2D6USP2
SCHEMBL2468952 0.84 ALDH1A1 (0.57) ALDH1A1PKMHTT
SCHEMBL2470869 0.83 CYP2D6 (0.63) ALDH1A1CYP3A4MEN1KMT2AHPGD
SCHEMBL2470391 0.83 KDM4E (0.54) ALDH1A1NPC1GRIN2BMEN1RAB9A
SCHEMBL2468360 0.81 GRIN2B (0.48) ALDH1A1CYP3A4NPC1GRIN2BMEN1
SCHEMBL2469566 0.81 GRIN2B (0.48) ALDH1A1NPC1GRIN2BMEN1RAB9A
SCHEMBL2468358 0.81 GRIN2B (0.48) ALDH1A1CYP3A4NPC1GRIN2BMEN1

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 11 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 claimed
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-7005436-B2 Heterocyclo inhibitors of potassium channel function BRISTOL MYERS SQUIBB COMPANY (US) 2006-02-28 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-20090312307-A1 HETEROCYCLO INHIBITORS OF POTASSIUM CHANNEL FUNCTION KCNJ2, KCNH2, KCNQ5 ALDH1A1 3941/4885CYP3A4 1607/4885NPC1 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.