SCHEMBL2472385

SCHEMBL2472385

CCCCCNC(=O)C1(c2ccccc2)CCNCC1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.54
SMN1; SMN2 Q16637 2/20 0.53
HTT P42858 2/20 0.53
TACR1 P25103 1/20 0.53
ALDH1A1 P00352 2/20 0.49
HDAC1 Q13547 1/20 0.48
CHRM2 P08172 1/20 0.47
NAAA Q02083 1/20 0.47
LMNA P02545 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
NAMPT P43490 2/20 0.45
EGFR P00533 1/20 0.45
EPHX1 P07099 3/20 0.45
CHRM5 P08912 1/20 0.44
CHRM3 P20309 1/20 0.44

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
SCHEMBL6543304 0.96 OPRM1 (0.56) OPRM1SMN1; SMN2HTTTACR1ALDH1A1
SCHEMBL2468493 0.85 OPRM1 (0.52) OPRM1SMN1; SMN2HTTTACR1ALDH1A1
SCHEMBL378422 0.84 TACR1 (0.56) OPRM1SMN1; SMN2HTTTACR1HDAC1
SCHEMBL6375805 0.82 SMN1; SMN2 (0.57) OPRM1SMN1; SMN2HTTTACR1ALDH1A1
SCHEMBL378738 0.81 TACR1 (0.58) OPRM1SMN1; SMN2HTTTACR1ALDH1A1
SCHEMBL9064765 0.79 CHRM5 (0.64) OPRM1SMN1; SMN2HTTALDH1A1CHRM2
SCHEMBL12194680 0.79 TACR1 (0.59) OPRM1SMN1; SMN2HTTTACR1ALDH1A1
SCHEMBL476243 0.78 TACR1 (0.71) OPRM1SMN1; SMN2HTTTACR1ALDH1A1
SCHEMBL22421927 0.77 TACR1 (0.49) OPRM1SMN1; SMN2HTTTACR1ALDH1A1
SCHEMBL19839730 0.77 TLR2 (0.67)

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 12 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-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
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 OPRM1 2850/4885SMN1; SMN2 4032/4885HTT 1125/4885
US-20090312307-A1 HETEROCYCLO INHIBITORS OF POTASSIUM CHANNEL FUNCTION KCNJ2, KCNH2, KCNQ5 OPRM1 2850/4885SMN1; SMN2 4032/4885HTT 1125/4885

“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.