SCHEMBL2469618

SCHEMBL2469618

O=C(Cc1ccc(F)cc1)N1CCC(C(=O)NCc2ccccc2)(c2ccccc2)CC1

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 4/20 0.59
ALDH1A1 P00352 3/20 0.57
OPRM1 P35372 1/20 0.53
RAB9A P51151 1/20 0.52
TACR1 P25103 2/20 0.48
HSD11B1 P28845 1/20 0.48
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
TSHR P16473 1/20 0.47
TP53 P04637 1/20 0.47
POLB P06746 1/20 0.47
ERCC1 P07992 1/20 0.46
ERCC4 Q92889 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
SCHEMBL2467204 0.91 KCNH2 (0.56) OPRL1ALDH1A1OPRM1KMT2AMEN1
SCHEMBL2467659 0.89 OPRL1 (0.57) OPRL1ALDH1A1OPRM1TACR1KMT2A
SCHEMBL2467799 0.89 OPRL1 (0.57) OPRL1ALDH1A1OPRM1TACR1KMT2A
SCHEMBL2516851 0.88 ALDH1A1 (0.52) OPRL1ALDH1A1OPRM1TACR1KMT2A
SCHEMBL2471516 0.88 OPRL1 (0.56) OPRL1ALDH1A1OPRM1TACR1KMT2A
SCHEMBL2468188 0.87 CHRM5 (0.48) OPRL1ALDH1A1RAB9AHSD11B1KMT2A
SCHEMBL2470391 0.86 KDM4E (0.54) OPRL1ALDH1A1RAB9AKMT2AMEN1
SCHEMBL2700949 0.86 HSD11B1 (0.54) ALDH1A1OPRM1HSD11B1KMT2AMEN1
SCHEMBL13594311 0.85 OPRL1 (0.58) OPRL1ALDH1A1OPRM1RAB9ATACR1
SCHEMBL19273223 0.84 OPRL1 (0.60) OPRL1ALDH1A1OPRM1RAB9ATACR1

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 1904/4885ALDH1A1 3941/4885OPRM1 2850/4885
US-20090312307-A1 HETEROCYCLO INHIBITORS OF POTASSIUM CHANNEL FUNCTION KCNJ2, KCNH2, KCNQ5 OPRL1 1904/4885ALDH1A1 3941/4885OPRM1 2850/4885

“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.