SCHEMBL2470899

SCHEMBL2470899

CC(C)(C)OC(=O)N1CCC(C(=O)NCc2ccc(F)cc2)(c2ccccc2)CC1

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 5/20 0.61
TSHR P16473 2/20 0.59
ALOX15 P16050 1/20 0.59
ATM Q13315 1/20 0.59
ALDH1A1 P00352 1/20 0.51
TP53 P04637 1/20 0.51
OPRM1 P35372 1/20 0.49
TACR1 P25103 2/20 0.48
KEAP1 Q14145 1/20 0.46
NFE2L2 Q16236 1/20 0.46
OPRD1 P41143 2/20 0.46
OPRK1 P41145 1/20 0.46
HSD17B10 Q99714 1/20 0.45
KCNH2 Q12809 1/20 0.45
MEN1 O00255 1/20 0.45
CYP2C19 P33261 1/20 0.45
KMT2A Q03164 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL2470131 0.94 TSHR (0.64) OPRL1TSHRALOX15ATMALDH1A1
SCHEMBL2470755 0.89 TSHR (0.56) OPRL1TSHRALOX15ATMALDH1A1
SCHEMBL2470592 0.89 TSHR (0.58) OPRL1TSHRALOX15ATMALDH1A1
SCHEMBL2465494 0.84 TP53 (0.52) OPRL1TSHRALOX15ATMALDH1A1
SCHEMBL378416 0.84 TSHR (0.50) OPRL1TSHRALOX15ATMKCNH2
SCHEMBL2470472 0.84 OPRL1 (0.56) OPRL1TSHRALDH1A1OPRM1TACR1
SCHEMBL2468481 0.84 TSHR (0.57) OPRL1TSHRALOX15ATMHSD17B10
SCHEMBL20587541 0.82 TSHR (0.69) OPRL1TSHRALOX15ATMOPRM1
SCHEMBL13594311 0.81 OPRL1 (0.58) OPRL1TSHRALDH1A1OPRM1TACR1
SCHEMBL2495108 0.81 TSHR (0.59) OPRL1TSHRALOX15ATMTACR1

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 OPRL1 1904/4885TSHR 2555/4885ALOX15 2580/4885
US-20090312307-A1 HETEROCYCLO INHIBITORS OF POTASSIUM CHANNEL FUNCTION KCNJ2, KCNH2, KCNQ5 OPRL1 1904/4885TSHR 2555/4885ALOX15 2580/4885

“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.