SCHEMBL1478645

SCHEMBL1478645

COc1ccc(Cl)c2onc(NCC(C)(C)c3cccc(C)n3)c12

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 11/20 0.47
CNR1 P21554 1/20 0.32
CNR2 P34972 1/20 0.32
CYP1A1 P04798 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP1B1 Q16678 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
NR3C1 P04150 1/20 0.31
BCDIN3D Q7Z5W3 1/20 0.31
CCR4 P51679 1/20 0.31
GRM5 P41594 1/20 0.30
ASIC3 Q9UHC3 1/20 0.30
HTR3A P46098 1/20 0.30
PTGS2 P35354 1/20 0.30

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
SCHEMBL1478047 0.83 KCNA5 (0.69) KCNA5GRM5ASIC3
SCHEMBL1480523 0.82 KCNA5 (0.67) KCNA5
SCHEMBL1479585 0.82 KCNA5 (0.47) KCNA5
SCHEMBL1480140 0.72 KCNA5 (0.69) KCNA5NR3C1GRM5ASIC3
SCHEMBL1477870 0.72 KCNA5 (0.72) KCNA5
SCHEMBL14644961 0.72 KCNA5 (0.68) KCNA5CNR2
SCHEMBL1480539 0.72 KCNA5 (0.67) KCNA5GRM5
SCHEMBL1478253 0.69 KCNA5 (0.60) KCNA5BCDIN3D
SCHEMBL14569251 0.69 KCNA5 (0.54) KCNA5
SCHEMBL1478669 0.69 KCNA5 (0.67) KCNA5

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8357809-B2 Acyclic IKur inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-01-22 US disclosed
US-8357809-B2 Acyclic IKur inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-01-22 US disclosed
US-8357809-B2 Acyclic IKur inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-01-22 US disclosed
US-20120094983-A1 ACYCLIC IKUR INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2012-04-19 US disclosed
US-20120094983-A1 ACYCLIC IKUR INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2012-04-19 US disclosed
US-20120094983-A1 ACYCLIC IKUR INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2012-04-19 US disclosed
US-7915410-B2 Acyclic IKur inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2011-03-29 US disclosed
US-7915410-B2 Acyclic IKur inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2011-03-29 US disclosed
US-7915410-B2 Acyclic IKur inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2011-03-29 US disclosed
EP-1922311-A2 ACYCLIC IKUR INHIBITORS Brystol-Myers Squibb Company (US) 2008-05-21 EP disclosed
US-20070082909-A1 Acyclic Ikur inhibitors BRISTOL-MYERS SQUIBB COMPANY 2007-04-12 US disclosed
US-20070082909-A1 Acyclic Ikur inhibitors BRISTOL-MYERS SQUIBB COMPANY 2007-04-12 US disclosed
US-20070082909-A1 Acyclic Ikur inhibitors BRISTOL-MYERS SQUIBB COMPANY 2007-04-12 US disclosed
WO-2007030582-A2 ACYCLIC IKUR INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-03-15 WO 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-20070082909-A1 Acyclic Ikur inhibitors KCNH2, KCNJ2, KCNH3 KCNA5 67/4885CNR1 145/4885CNR2 508/4885
US-20120094983-A1 ACYCLIC IKUR INHIBITORS KCNH2, KCNJ2, KCNH3 KCNA5 67/4885CNR1 145/4885CNR2 508/4885

“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.