SCHEMBL2473046

SCHEMBL2473046

O=C(CCc1ccc(C(F)(F)F)cc1)N1CCC(C(=O)NCc2ccc(F)cc2)(c2ccccc2)CC1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 2/20 0.54
OPRL1 P41146 4/20 0.52
ALDH1A1 P00352 1/20 0.48
GFER P55789 1/20 0.47
HRH3 Q9Y5N1 2/20 0.46
THRB P10828 1/20 0.46
OPRM1 P35372 1/20 0.44
EPHX2 P34913 1/20 0.43
GPR183 P32249 1/20 0.43
CNR1 P21554 1/20 0.42
PLAAT3 P53816 1/20 0.42
PLAAT5 Q96KN8 1/20 0.42
PLAAT2 Q9NWW9 1/20 0.42
PLAAT4 Q9UL19 1/20 0.42
LMNA P02545 1/20 0.42
KMT2A Q03164 1/20 0.41

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
SCHEMBL2468401 1.00 TACR1 (0.54) TACR1OPRL1ALDH1A1GFERHRH3
SCHEMBL2469154 0.95 TACR1 (0.53) TACR1OPRL1ALDH1A1HRH3THRB
SCHEMBL2471516 0.93 OPRL1 (0.56) TACR1OPRL1ALDH1A1GFEROPRM1
SCHEMBL2470187 0.93 TACR1 (0.63) TACR1OPRL1ALDH1A1GFEREPHX2
SCHEMBL2467659 0.92 OPRL1 (0.57) TACR1OPRL1ALDH1A1GFEROPRM1
SCHEMBL2467799 0.92 OPRL1 (0.57) TACR1OPRL1ALDH1A1GFEROPRM1
SCHEMBL2472277 0.91 TACR1 (0.55) TACR1OPRL1ALDH1A1GFEROPRM1
SCHEMBL2517917 0.88 OPRL1 (0.54) TACR1OPRL1ALDH1A1GFEROPRM1
SCHEMBL2470233 0.88 OPRL1 (0.52) TACR1OPRL1ALDH1A1GFEROPRM1
SCHEMBL2701005 0.86 TACR1 (0.56) TACR1OPRL1ALDH1A1OPRM1KMT2A

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

“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.