SCHEMBL5863130

SCHEMBL5863130

C[C@H](NC(=O)/C=C/c1ccccc1)c1cccc(N2CCN(c3ccccn3)CC2)c1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNQ3 O43525 1/20 0.71
KCNQ2 O43526 1/20 0.71
CYP1A2 P05177 1/20 0.71
CYP3A4 P08684 1/20 0.71
CYP19A1 P11511 1/20 0.71
CYP2C9 P11712 1/20 0.71
TDP1 Q9NUW8 1/20 0.55
HDAC3 O15379 1/20 0.52
HDAC4 P56524 1/20 0.52
HDAC1 Q13547 1/20 0.52
HDAC7 Q8WUI4 1/20 0.52
HDAC2 Q92769 1/20 0.52
HDAC10 Q969S8 1/20 0.52
HDAC11 Q96DB2 1/20 0.52
HDAC8 Q9BY41 1/20 0.52
HDAC6 Q9UBN7 1/20 0.52
HDAC9 Q9UKV0 1/20 0.52
HDAC5 Q9UQL6 1/20 0.52
LMNA P02545 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47

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
SCHEMBL5863134 1.00 KCNQ3 (0.71) KCNQ3KCNQ2CYP1A2CYP3A4CYP19A1
SCHEMBL5863139 1.00 KCNQ3 (0.71) KCNQ3KCNQ2CYP1A2CYP3A4CYP19A1
SCHEMBL5863224 0.94 KCNQ3 (0.62) KCNQ3KCNQ2CYP1A2CYP3A4CYP19A1
SCHEMBL5863235 0.94 KCNQ3 (0.62) KCNQ3KCNQ2CYP1A2CYP3A4CYP19A1
SCHEMBL5863229 0.94 KCNQ3 (0.62) KCNQ3KCNQ2CYP1A2CYP3A4CYP19A1
SCHEMBL5863194 0.93 KCNQ2 (0.61) KCNQ3KCNQ2CYP1A2CYP3A4CYP19A1
SCHEMBL5863444 0.93 KCNQ2 (0.61) KCNQ3KCNQ2CYP1A2CYP3A4CYP19A1
SCHEMBL5863256 0.93 KCNQ3 (0.61) KCNQ3KCNQ2CYP1A2CYP3A4CYP19A1
SCHEMBL5863452 0.93 KCNQ2 (0.61) KCNQ3KCNQ2CYP1A2CYP3A4CYP19A1
SCHEMBL5863261 0.93 KCNQ3 (0.61) KCNQ3KCNQ2CYP1A2CYP3A4CYP19A1

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-1572112-A4 3-(PYRIDINYL-PIPERAZIN-1-YL)-PHENYLETHYL AMIDES AS POTASSIUM CHANNEL OPENERS BRISTOL MYERS SQUIBB CO (US) 2006-12-06 EP claimed
US-7087609-B2 3-(pyridinyl-piperazin-1-yl)-phenylethyl amides as potassium channel openers BRISTOL-MYERS SQUIBB COMPANY (US) 2006-08-08 US claimed
EP-1572112-A2 3-(PYRIDINYL-PIPERAZIN-1-YL)-PHENYLETHYL AMIDES AS POTASSIUM CHANNEL OPENERS Bristol-Myers Squibb Company (US) 2005-09-14 EP claimed
WO-2004047745-A2 3-(PYRIDINYL-PIPERAZIN-1-YL)-PHENYLETHYL AMIDES AS POTASSIUM CHANNEL OPENERS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-06-10 WO claimed
US-20040110765-A1 3-(Pyridinyl-piperazin-1-yl)-phenylethyl amides as potassium channel openers BRISTOL-MYERS SQUIBB COMPANY 2004-06-10 US claimed
US-7087609-B2 3-(pyridinyl-piperazin-1-yl)-phenylethyl amides as potassium channel openers BRISTOL-MYERS SQUIBB COMPANY (US) 2006-08-08 US disclosed
US-20040110765-A1 3-(Pyridinyl-piperazin-1-yl)-phenylethyl amides as potassium channel openers BRISTOL-MYERS SQUIBB COMPANY 2004-06-10 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 (1 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-20040110765-A1 3-(Pyridinyl-piperazin-1-yl)-phenylethyl amides as potassium channel openers KCNQ3, KCNQ1, KCNQ2 KCNQ3 1/4885KCNQ2 3/4885CYP1A2 917/4885

“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.