SCHEMBL2467799

SCHEMBL2467799

O=C(CCc1ccccc1)N1CCC(C(=O)NCc2ccc(F)cc2)(c2ccccc2)CC1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 4/20 0.57
ALDH1A1 P00352 2/20 0.55
GFER P55789 1/20 0.55
OPRM1 P35372 1/20 0.51
EPHX2 P34913 1/20 0.50
LMNA P02545 1/20 0.49
NPC1 O15118 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
TACR1 P25103 1/20 0.47
GPR183 P32249 1/20 0.47
KMT2A Q03164 1/20 0.46
FKBP1A P62942 1/20 0.46
TSHR P16473 1/20 0.46
TP53 P04637 1/20 0.46

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
SCHEMBL2467659 1.00 OPRL1 (0.57) OPRL1ALDH1A1GFEROPRM1EPHX2
SCHEMBL2471516 0.99 OPRL1 (0.56) OPRL1ALDH1A1GFEROPRM1EPHX2
SCHEMBL2470233 0.94 OPRL1 (0.52) OPRL1ALDH1A1GFEROPRM1EPHX2
SCHEMBL2517917 0.94 OPRL1 (0.54) OPRL1ALDH1A1GFEROPRM1EPHX2
SCHEMBL2473046 0.92 TACR1 (0.54) OPRL1ALDH1A1GFEROPRM1EPHX2
SCHEMBL2468401 0.92 TACR1 (0.54) OPRL1ALDH1A1GFEROPRM1EPHX2
SCHEMBL10253999 0.90 OPRL1 (0.56) OPRL1ALDH1A1GFEROPRM1LMNA
SCHEMBL2467231 0.90 OPRL1 (0.51) OPRL1ALDH1A1GFEROPRM1EPHX2
SCHEMBL12194770 0.89 GFER (0.53) OPRL1GFEROPRM1EPHX2LMNA
SCHEMBL10253404 0.89 OPRL1 (0.55) OPRL1ALDH1A1OPRM1LMNANPC1

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 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-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
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 1904/4885ALDH1A1 3941/4885GFER 1562/4885
US-20090312307-A1 HETEROCYCLO INHIBITORS OF POTASSIUM CHANNEL FUNCTION KCNJ2, KCNH2, KCNQ5 OPRL1 1904/4885ALDH1A1 3941/4885GFER 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.