SCHEMBL2469437

SCHEMBL2469437

Nc1nccnc1C(=O)NCC1(c2ccccc2)CCN(C(=O)c2ccccc2)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.49
OPRD1 P41143 4/20 0.45
OPRK1 P41145 3/20 0.45
P2RX7 Q99572 1/20 0.44
ALDH1A1 P00352 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
GAA P10253 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
ATR Q13535 1/20 0.43
CCR5 P51681 2/20 0.42
PKLR P30613 1/20 0.42
POLB P06746 1/20 0.42
MAPK1 P28482 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CHRM2 P08172 1/20 0.41
CHRM3 P20309 1/20 0.41
CYP3A4 P08684 2/20 0.41
TSHR P16473 2/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 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
SCHEMBL2495626 0.96 CYP2D6 (0.47) LMNAOPRD1OPRK1P2RX7ALDH1A1
SCHEMBL2471241 0.92 CHRM2 (0.50) LMNAP2RX7ALDH1A1SMN1; SMN2POLB
SCHEMBL2491434 0.85 OPRD1 (0.48) OPRD1OPRK1P2RX7
SCHEMBL2470148 0.84 SLC6A9 (0.46) LMNAOPRD1P2RX7ALDH1A1SMN1; SMN2
SCHEMBL2469913 0.84 P2RX7 (0.45) LMNAOPRD1OPRK1P2RX7ALDH1A1
SCHEMBL13183077 0.84 CYP2D6 (0.45) LMNAOPRD1OPRK1P2RX7ALDH1A1
SCHEMBL13182929 0.84 MEN1 (0.47) LMNAP2RX7ALDH1A1ATRPOLB
SCHEMBL13593988 0.83 OPRD1 (0.49) OPRD1OPRK1P2RX7CCR5TSHR
SCHEMBL13594316 0.82 P2RX7 (0.40) LMNAP2RX7ALDH1A1SMN1; SMN2GAA
SCHEMBL13594182 0.82 P2RX7 (0.41) LMNAP2RX7ALDH1A1SMN1; SMN2GAA

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 7 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
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 LMNA 1070/4885OPRD1 2240/4885OPRK1 513/4885

“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.