SCHEMBL2702158

SCHEMBL2702158

O=C(c1ccc(F)cc1)N1CCC(Cc2ccccc2)(C(=O)O)CC1

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.50
HSD11B1 P28845 2/20 0.50
CHRM2 P08172 1/20 0.50
CHRM3 P20309 1/20 0.50
MEN1 O00255 1/20 0.49
SLC6A7 Q99884 1/20 0.49
CYP2D6 P10635 3/20 0.48
MAPK1 P28482 1/20 0.48
TSHR P16473 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
RIPK1 Q13546 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C19 P33261 1/20 0.46
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
ATM Q13315 1/20 0.46

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
SCHEMBL2702729 0.90 CHRM2 (0.59) KMT2ACHRM2CHRM3MEN1CYP2D6
SCHEMBL2700039 0.87 PKLR (0.57) KMT2ACHRM2CHRM3MEN1CYP2D6
SCHEMBL2701101 0.87 GABRD (0.51) KMT2ACHRM2CHRM3MEN1CYP2D6
SCHEMBL2472090 0.86 PRKAA2 (0.52) KMT2ATSHRCYP2C19ALDH1A1NPC1
SCHEMBL2703917 0.85 CYP3A4 (0.63) KMT2ACHRM2CHRM3MEN1CYP2D6
SCHEMBL13594292 0.83 PRKAA2 (0.49) KMT2ACHRM2CHRM3CYP2D6MAPK1
SCHEMBL2702690 0.83 HSD11B1 (0.53) KMT2AHSD11B1MEN1MAPK1TSHR
SCHEMBL2702117 0.81 GFER (0.60) KMT2AMEN1TSHRL3MBTL1ALDH1A1
SCHEMBL3485621 0.80 AVPR1A (0.44) KMT2ACHRM2CHRM3MEN1CYP2D6
SCHEMBL2701792 0.80 AVPR1A (0.46) CYP2D6MAPK1TSHRCYP3A4CYP2C19

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 KMT2A 957/4885HSD11B1 4246/4885CHRM2 2502/4885
US-20090312307-A1 HETEROCYCLO INHIBITORS OF POTASSIUM CHANNEL FUNCTION KCNJ2, KCNH2, KCNQ5 KMT2A 957/4885HSD11B1 4246/4885CHRM2 2502/4885

“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.