SCHEMBL2471827

SCHEMBL2471827

CCCCC(=O)N1CCC(Cc2ccccc2)(C(=O)NCCc2ccc(CC)cc2)CC1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.45
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
KDM4E B2RXH2 1/20 0.42
POLB P06746 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NPC1 O15118 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
FKBP1A P62942 1/20 0.41
LMNA P02545 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
HPGD P15428 1/20 0.40
AR P10275 1/20 0.40

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
SCHEMBL2471735 0.93 NPC1 (0.49) ALDH1A1MEN1KMT2APOLBSMN1; SMN2
SCHEMBL2470205 0.89 ALDH1A1 (0.51) ALDH1A1MEN1KMT2AKDM4ESMN1; SMN2
SCHEMBL2470199 0.88 GFER (0.50) ALDH1A1MEN1KMT2ASMN1; SMN2NPC1
SCHEMBL2468347 0.88 ALDH1A1 (0.55) ALDH1A1MEN1KMT2ASMN1; SMN2NPC1
SCHEMBL2472152 0.87 NPC1 (0.55) ALDH1A1MEN1KMT2APOLBNPC1
SCHEMBL2467982 0.87 MEN1 (0.42) ALDH1A1MEN1KMT2AKDM4ESMN1; SMN2
SCHEMBL2471864 0.86 ALDH1A1 (0.45) ALDH1A1MEN1KMT2ASMN1; SMN2NPC1
SCHEMBL2470362 0.86 CYP2D6 (0.45) ALDH1A1MEN1KMT2AKDM4EFKBP1A
SCHEMBL2469565 0.86 CYP2D6 (0.50) ALDH1A1MEN1KMT2ASMN1; SMN2LMNA
SCHEMBL2467308 0.86 KMT2A (0.42) ALDH1A1MEN1KMT2AFKBP1ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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

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 3941/4885MEN1 3501/4885KMT2A 957/4885

“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.