SCHEMBL2471735

SCHEMBL2471735

CCc1ccc(CCNC(=O)C2(Cc3ccccc3)CCN(C(=O)CCc3ccccc3)CC2)cc1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.48
ALDH1A1 P00352 5/20 0.48
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
LMNA P02545 1/20 0.47
FKBP1A P62942 2/20 0.46
POLB P06746 3/20 0.46
NAAA Q02083 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
KDM1A O60341 1/20 0.43
TSHR P16473 1/20 0.43
EPHX1 P07099 1/20 0.42
EPHX2 P34913 1/20 0.42

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
SCHEMBL2470199 0.95 GFER (0.50) NPC1TDP1L3MBTL1ALDH1A1MEN1
SCHEMBL2468347 0.95 ALDH1A1 (0.55) NPC1TDP1L3MBTL1ALDH1A1MEN1
SCHEMBL2472152 0.94 NPC1 (0.55) NPC1TDP1L3MBTL1ALDH1A1MEN1
SCHEMBL2471827 0.93 ALDH1A1 (0.45) NPC1TDP1L3MBTL1ALDH1A1MEN1
SCHEMBL2470232 0.92 MEN1 (0.60) ALDH1A1MEN1KMT2APOLBEPHX1
SCHEMBL2470205 0.91 ALDH1A1 (0.51) ALDH1A1MEN1KMT2ALMNAFKBP1A
SCHEMBL2471857 0.91 PLAAT3 (0.52) NPC1TDP1L3MBTL1ALDH1A1MEN1
SCHEMBL2467982 0.89 MEN1 (0.42) NPC1ALDH1A1MEN1KMT2ALMNA
SCHEMBL2495227 0.89 NPC1 (0.49) NPC1TDP1L3MBTL1ALDH1A1MEN1
SCHEMBL2469409 0.89 GFER (0.55) NPC1TDP1MEN1KMT2AFKBP1A

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 5 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
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 NPC1 989/4885TDP1 2203/4885L3MBTL1 1381/4885

“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.