SCHEMBL2468064

SCHEMBL2468064

CC(NC(=O)CC1(c2ccccc2)CCN(C(=O)CCc2ccc(F)cc2)CC1)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
TSHR P16473 1/20 0.47
GFER P55789 1/20 0.46
ALDH1A1 P00352 4/20 0.46
KDM4E B2RXH2 2/20 0.46
CACNA1F O60840 1/20 0.44
HTR1A P08908 1/20 0.44
ADORA3 P0DMS8 1/20 0.44
DRD4 P21917 1/20 0.44
DRD5 P21918 1/20 0.44
HRH2 P25021 1/20 0.44
ADRA1D P25100 1/20 0.44
HTR2A P28223 1/20 0.44
HTR7 P34969 1/20 0.44
ADRA1A P35348 1/20 0.44
HRH1 P35367 1/20 0.44
ADRA1B P35368 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
SCHEMBL2472654 0.93 TSHR (0.48) TSHRALDH1A1KDM4ESMN1; SMN2FKBP1A
SCHEMBL2472924 0.90 CYP3A4 (0.58) CYP3A4CYP2D6CYP2C9CYP2C19ALDH1A1
SCHEMBL2473161 0.84 NPC1 (0.49) CYP3A4CYP2D6CYP2C9CYP2C19ALDH1A1
SCHEMBL13688323 0.84 CYP3A4 (0.50) CYP3A4CYP2D6CYP2C9CYP2C19ALDH1A1
SCHEMBL14327421 0.83 OPRM1 (0.49) ALDH1A1OPRM1LMNAGAAKMT2A
SCHEMBL2471062 0.79 TSHR (0.53) TSHRALDH1A1KDM4EOPRM1SMN1; SMN2
SCHEMBL2469517 0.79 TAAR1 (0.47) GFERALDH1A1KDM4ESMN1; SMN2EPHX2
SCHEMBL2467934 0.78 C3AR1 (0.47) TSHRGFERLMNAKMT2A
SCHEMBL2468169 0.77 NPC1 (0.42) CYP3A4CYP2D6CYP2C9CYP2C19GFER
SCHEMBL2468451 0.77 HDAC3 (0.46) CYP3A4CYP2C19TSHROPRD1OPRK1

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 10 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-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 CYP3A4 1607/4885CYP2D6 1945/4885CYP2C9 2232/4885
US-20090312307-A1 HETEROCYCLO INHIBITORS OF POTASSIUM CHANNEL FUNCTION KCNJ2, KCNH2, KCNQ5 CYP3A4 1607/4885CYP2D6 1945/4885CYP2C9 2232/4885

“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.