SCHEMBL2469154

SCHEMBL2469154

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

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 2/20 0.53
ALDH1A1 P00352 1/20 0.53
OPRL1 P41146 4/20 0.52
OPRM1 P35372 1/20 0.48
HRH3 Q9Y5N1 2/20 0.48
THRB P10828 1/20 0.48
PLAAT3 P53816 1/20 0.47
PLAAT5 Q96KN8 1/20 0.47
PLAAT2 Q9NWW9 1/20 0.47
PLAAT4 Q9UL19 1/20 0.47
NPC1 O15118 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
MC4R P32245 1/20 0.45
TP53 P04637 1/20 0.44
MDM2 Q00987 1/20 0.44
YAP1 P46937 1/20 0.44
CNR1 P21554 1/20 0.44

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
SCHEMBL2473046 0.95 TACR1 (0.54) TACR1ALDH1A1OPRL1OPRM1HRH3
SCHEMBL2468401 0.95 TACR1 (0.54) TACR1ALDH1A1OPRL1OPRM1HRH3
SCHEMBL2701005 0.91 TACR1 (0.56) TACR1ALDH1A1OPRL1OPRM1NPC1
SCHEMBL2472932 0.90 MC4R (0.48) TACR1HRH3THRBPLAAT3PLAAT5
SCHEMBL2467659 0.89 OPRL1 (0.57) TACR1ALDH1A1OPRL1OPRM1NPC1
SCHEMBL2467799 0.89 OPRL1 (0.57) TACR1ALDH1A1OPRL1OPRM1NPC1
SCHEMBL2472277 0.88 TACR1 (0.55) TACR1ALDH1A1OPRL1OPRM1NPC1
SCHEMBL2470187 0.88 TACR1 (0.63) TACR1ALDH1A1OPRL1
SCHEMBL2471516 0.87 OPRL1 (0.56) TACR1ALDH1A1OPRL1OPRM1NPC1
SCHEMBL2702482 0.87 HRH3 (0.54) TACR1HRH3THRBPLAAT3PLAAT5

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 TACR1 3354/4885ALDH1A1 3941/4885OPRL1 1904/4885
US-20090312307-A1 HETEROCYCLO INHIBITORS OF POTASSIUM CHANNEL FUNCTION KCNJ2, KCNH2, KCNQ5 TACR1 3354/4885ALDH1A1 3941/4885OPRL1 1904/4885

“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.