SCHEMBL2701083

SCHEMBL2701083

COc1cccc(C2(C(N)=O)CCN(Cc3ccccc3)CC2)c1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
ALDH1A1 P00352 3/20 0.56
NPFFR1 Q9GZQ6 1/20 0.52
NPFFR2 Q9Y5X5 1/20 0.52
TACR2 P21452 1/20 0.52
TACR1 P25103 1/20 0.52
OPRM1 P35372 1/20 0.52
CYP2D6 P10635 2/20 0.51
TSHR P16473 1/20 0.51
LMNA P02545 2/20 0.50
CCR8 P51685 1/20 0.50
FAAH O00519 1/20 0.50
KDM4E B2RXH2 2/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
NPSR1 Q6W5P4 1/20 0.49
MAPT P10636 1/20 0.49
RECQL P46063 1/20 0.49

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
SCHEMBL4878355 0.91 SIGMAR1 (0.60) SIGMAR1L3MBTL1ALDH1A1CYP2D6TSHR
SCHEMBL4881599 0.89 L3MBTL1 (0.60) SIGMAR1L3MBTL1ALDH1A1NPFFR1NPFFR2
SCHEMBL8349894 0.87 SIGMAR1 (0.55) SIGMAR1L3MBTL1ALDH1A1NPFFR1NPFFR2
SCHEMBL8349895 0.86 L3MBTL1 (0.54) SIGMAR1L3MBTL1ALDH1A1NPFFR1NPFFR2
SCHEMBL4883886 0.85 L3MBTL1 (0.54) SIGMAR1L3MBTL1ALDH1A1NPFFR1NPFFR2
SCHEMBL476242 0.84 OPRL1 (0.60) SIGMAR1ALDH1A1NPFFR1NPFFR2OPRM1
SCHEMBL2699787 0.83 CHRM2 (0.55) SIGMAR1ALDH1A1NPFFR1NPFFR2OPRM1
SCHEMBL4883883 0.83 MMP1 (0.52) SIGMAR1L3MBTL1ALDH1A1LMNACCR8
Hydrochloric Acid SCHEMBL2158958 0.83 POLB (0.61) SIGMAR1ALDH1A1NPFFR1NPFFR2OPRM1
SCHEMBL4816046 0.82 ALDH1A1 (0.80) SIGMAR1L3MBTL1ALDH1A1OPRM1KDM4E

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 7 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-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-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 SIGMAR1 2910/4885L3MBTL1 1381/4885ALDH1A1 3941/4885
US-20090312307-A1 HETEROCYCLO INHIBITORS OF POTASSIUM CHANNEL FUNCTION KCNJ2, KCNH2, KCNQ5 SIGMAR1 2910/4885L3MBTL1 1381/4885ALDH1A1 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.