SCHEMBL2467016

SCHEMBL2467016

O=C(CC1(c2ccccc2)CCN(C(=O)Cc2ccc(F)cc2)CC1)NCCc1ccccc1F

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.43
EPHX2 P34913 1/20 0.43
HSD11B1 P28845 1/20 0.41
TAAR1 Q96RJ0 4/20 0.41
POLB P06746 1/20 0.40
CACNA1G O43497 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
TACR1 P25103 1/20 0.39
CHRM5 P08912 1/20 0.39
CHRM1 P11229 1/20 0.39
CHRM3 P20309 1/20 0.39
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
LMNA P02545 1/20 0.38
TSHR P16473 1/20 0.38

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
SCHEMBL2469517 0.92 TAAR1 (0.47) EPHX2TAAR1MEN1KMT2ACHRM5
SCHEMBL2473653 0.87 KMT2A (0.47) HSD11B1TAAR1CACNA1GMEN1KMT2A
SCHEMBL2472016 0.87 KMT2A (0.47) EPHX2TAAR1POLBMEN1KMT2A
SCHEMBL14327417 0.84 KMT2A (0.53) TAAR1MEN1KMT2ATACR1CHRM5
SCHEMBL4038012 0.82 HTR2A (0.45) TAAR1ALDH1A1KDM4ELMNA
SCHEMBL2468007 0.81 MCHR1 (0.45) TAAR1POLBMEN1KMT2AALDH1A1
SCHEMBL2465687 0.80 HPGD (0.46) TAAR1MEN1KMT2AALDH1A1KDM4E
SCHEMBL2474044 0.80 CNR1 (0.41) TAAR1MEN1KMT2AALDH1A1KDM4E
SCHEMBL2469492 0.80 TAAR1 (0.45) TAAR1MEN1KMT2ATACR1ALDH1A1
SCHEMBL4028623 0.77 KMT2A (0.60) TAAR1CACNA1GMEN1KMT2AALDH1A1

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 disclosed
EP-1501467-B1 HETEROCYCLO INHIBITORS OF POTASSIUM CHANNEL FUNCTION BRISTOL MYERS SQUIBB CO (US) 2012-05-09 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 LTA4H 2069/4885EPHX2 3772/4885HSD11B1 4246/4885
US-20090312307-A1 HETEROCYCLO INHIBITORS OF POTASSIUM CHANNEL FUNCTION KCNJ2, KCNH2, KCNQ5 LTA4H 2069/4885EPHX2 3772/4885HSD11B1 4246/4885

“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.