SCHEMBL2473161

SCHEMBL2473161

CC(NC(=O)CC1(c2ccccc2)CCN(C(=O)c2ccc(F)cc2)CC1)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
ALDH1A1 P00352 2/20 0.46
KDM4E B2RXH2 1/20 0.46
POLB P06746 2/20 0.44
CCR5 P51681 1/20 0.44
CCR1 P32246 1/20 0.42
DRD3 P35462 1/20 0.42
RAB9A P51151 1/20 0.41
GPR139 Q6DWJ6 1/20 0.41
OPRD1 P41143 1/20 0.41
OPRK1 P41145 1/20 0.41

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
SCHEMBL2472924 0.86 CYP3A4 (0.58) NPC1CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL2468064 0.84 CYP3A4 (0.51) NPC1CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL2468169 0.84 NPC1 (0.42) NPC1CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL13688323 0.84 CYP3A4 (0.50) NPC1CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL2470204 0.83 HPGD (0.46) NPC1CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL14327421 0.82 OPRM1 (0.49) NPC1ALDH1A1POLBGPR139
SCHEMBL3714839 0.80 NPC1 (0.49) NPC1CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL4028623 0.78 KMT2A (0.60) NPC1CYP3A4CYP2C19ALDH1A1KDM4E
SCHEMBL2472654 0.78 TSHR (0.48) NPC1ALDH1A1KDM4EPOLBRAB9A
SCHEMBL2468451 0.78 HDAC3 (0.46) NPC1CYP3A4CYP2C19CCR5CCR1

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 15 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-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-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 NPC1 989/4885CYP3A4 1607/4885CYP2D6 1945/4885
US-20090312307-A1 HETEROCYCLO INHIBITORS OF POTASSIUM CHANNEL FUNCTION KCNJ2, KCNH2, KCNQ5 NPC1 989/4885CYP3A4 1607/4885CYP2D6 1945/4885

“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.