SCHEMBL2467231

SCHEMBL2467231

Cc1cccc(CNC(=O)C2(c3ccccc3)CCN(C(=O)CCc3ccc(F)cc3)CC2)c1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 4/20 0.51
METAP2 P50579 2/20 0.50
GFER P55789 1/20 0.47
EPHX2 P34913 1/20 0.46
ALDH1A1 P00352 1/20 0.46
OPRM1 P35372 1/20 0.45
TACR1 P25103 1/20 0.44
ERCC1 P07992 1/20 0.44
ERCC4 Q92889 1/20 0.44
GPR183 P32249 1/20 0.43
TP53 P04637 1/20 0.43
FFAR1 O14842 1/20 0.42
NPC1 O15118 1/20 0.42
TDP1 Q9NUW8 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
SCHEMBL2468267 0.95 METAP2 (0.52) OPRL1METAP2ALDH1A1OPRM1ERCC1
SCHEMBL14327389 0.92 METAP2 (0.46) OPRL1METAP2GFEREPHX2GPR183
SCHEMBL10260225 0.92 OPRL1 (0.50) OPRL1METAP2ALDH1A1OPRM1TACR1
SCHEMBL2468459 0.92 CHRM5 (0.50) OPRL1GFEREPHX2ALDH1A1OPRM1
SCHEMBL2517917 0.91 OPRL1 (0.54) OPRL1GFEREPHX2ALDH1A1OPRM1
SCHEMBL2467799 0.90 OPRL1 (0.57) OPRL1GFEREPHX2ALDH1A1OPRM1
SCHEMBL2467659 0.90 OPRL1 (0.57) OPRL1GFEREPHX2ALDH1A1OPRM1
SCHEMBL2471516 0.89 OPRL1 (0.56) OPRL1GFEREPHX2ALDH1A1OPRM1
SCHEMBL2472277 0.87 TACR1 (0.55) OPRL1METAP2GFEREPHX2ALDH1A1
SCHEMBL13688316 0.86 ALDH1A1 (0.55) OPRL1ALDH1A1OPRM1ERCC1ERCC4

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 OPRL1 1904/4885METAP2 4807/4885GFER 1562/4885
US-20090312307-A1 HETEROCYCLO INHIBITORS OF POTASSIUM CHANNEL FUNCTION KCNJ2, KCNH2, KCNQ5 OPRL1 1904/4885METAP2 4807/4885GFER 1562/4885

“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.