SCHEMBL2470083

SCHEMBL2470083

O=C(COCc1ccccc1)N1CCC(C(=O)NCc2ccc(F)c(F)c2)(c2ccccc2)CC1

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 10/20 0.48
ALDH1A1 P00352 1/20 0.48
ERCC1 P07992 1/20 0.45
ERCC4 Q92889 1/20 0.45
OPRL1 P41146 4/20 0.45
OPRM1 P35372 1/20 0.44
TACR1 P25103 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
SCHEMBL2469916 0.87 MEN1 (0.48) ALDH1A1ERCC1ERCC4OPRL1OPRM1
SCHEMBL2516851 0.87 ALDH1A1 (0.52) ALDH1A1ERCC1ERCC4OPRL1OPRM1
SCHEMBL2467971 0.86 ALDH1A1 (0.49) ALDH1A1ERCC1ERCC4OPRL1OPRM1
SCHEMBL14312597 0.86 GRM5 (0.46) GRM5
SCHEMBL2470356 0.85 ALDH1A1 (0.50) ALDH1A1ERCC1ERCC4OPRL1OPRM1
SCHEMBL2470611 0.85 ALDH1A1 (0.49) ALDH1A1ERCC1ERCC4OPRL1OPRM1
SCHEMBL2471635 0.84 ALDH1A1 (0.55) ALDH1A1ERCC1ERCC4OPRL1OPRM1
SCHEMBL13182943 0.83 ALDH1A1 (0.48) ALDH1A1ERCC1ERCC4OPRL1OPRM1
SCHEMBL2469247 0.82 ALDH1A1 (0.50) ALDH1A1ERCC1ERCC4OPRL1OPRM1
SCHEMBL10253155 0.80 ALDH1A1 (0.49) ALDH1A1ERCC1ERCC4OPRL1OPRM1

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 13 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 claimed
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 GRM5 662/4885ALDH1A1 3941/4885ERCC1 2042/4885
US-20090312307-A1 HETEROCYCLO INHIBITORS OF POTASSIUM CHANNEL FUNCTION KCNJ2, KCNH2, KCNQ5 GRM5 662/4885ALDH1A1 3941/4885ERCC1 2042/4885

“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.