SCHEMBL2474161

SCHEMBL2474161

O=C(CCc1ccccc1)N1CCC(C(=O)N2CCN(c3ccccn3)CC2)(c2ccccc2)CC1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.76
RAB9A P51151 2/20 0.62
KDM4E B2RXH2 7/20 0.58
HSD17B10 Q99714 6/20 0.58
HPGD P15428 3/20 0.58
CYP3A4 P08684 1/20 0.58
CYP2C9 P11712 1/20 0.58
RECQL P46063 1/20 0.58
ME2 P23368 1/20 0.56
ME1 P48163 1/20 0.56
ME3 Q16798 1/20 0.56
HTR7 P34969 1/20 0.56
SMN1; SMN2 Q16637 3/20 0.53
MAPK1 P28482 2/20 0.53
TSHR P16473 2/20 0.53
NPC1 O15118 1/20 0.53
KMT2A Q03164 1/20 0.53
LMNA P02545 1/20 0.52
PARP1 P09874 1/20 0.51
NAMPT P43490 1/20 0.50

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
SCHEMBL2516139 0.90 ALDH1A1 (0.58) ALDH1A1RAB9AKDM4EHSD17B10HPGD
SCHEMBL2471018 0.81 KMT2A (0.57) ALDH1A1ME2ME1ME3HTR7
SCHEMBL2471006 0.80 MAPT (0.75) ALDH1A1ME2ME1ME3HTR7
SCHEMBL2700497 0.77 NPC1 (0.63) ALDH1A1ME2ME1ME3TSHR
SCHEMBL3110025 0.77 ALDH1A1 (0.61) ALDH1A1RAB9AKDM4EHSD17B10HPGD
SCHEMBL2469396 0.77 ALDH1A1 (0.50) ALDH1A1RAB9AKDM4EHPGDSMN1; SMN2
SCHEMBL13593925 0.75 NPC1 (0.60) ALDH1A1HPGDME2ME1ME3
SCHEMBL23682791 0.75 KDM4E (0.81) ALDH1A1RAB9AKDM4EHSD17B10HPGD
SCHEMBL13149796 0.75 ALDH1A1 (0.76) ALDH1A1KDM4EHSD17B10HPGDCYP3A4
SCHEMBL7362098 0.75 KDM4E (1.00) ALDH1A1RAB9AKDM4EHSD17B10HPGD

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 14 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
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 ALDH1A1 3941/4885RAB9A 1780/4885KDM4E 485/4885
US-20090312307-A1 HETEROCYCLO INHIBITORS OF POTASSIUM CHANNEL FUNCTION KCNJ2, KCNH2, KCNQ5 ALDH1A1 3941/4885RAB9A 1780/4885KDM4E 485/4885

“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.