SCHEMBL5863190

SCHEMBL5863190

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

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNQ2 O43526 2/20 0.60
CYP3A4 P08684 2/20 0.60
KCNQ3 O43525 1/20 0.60
CYP1A2 P05177 1/20 0.60
CYP19A1 P11511 1/20 0.60
CYP2C9 P11712 1/20 0.60
HDAC3 O15379 1/20 0.49
HDAC4 P56524 1/20 0.49
HDAC1 Q13547 1/20 0.49
HDAC7 Q8WUI4 1/20 0.49
HDAC2 Q92769 1/20 0.49
HDAC10 Q969S8 1/20 0.49
HDAC11 Q96DB2 1/20 0.49
HDAC8 Q9BY41 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
HDAC9 Q9UKV0 1/20 0.49
HDAC5 Q9UQL6 1/20 0.49
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
MAPT P10636 1/20 0.48

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
SCHEMBL5863196 1.00 KCNQ2 (0.60) KCNQ2CYP3A4KCNQ3CYP1A2CYP19A1
SCHEMBL5863200 1.00 KCNQ2 (0.60) KCNQ2CYP3A4KCNQ3CYP1A2CYP19A1
SCHEMBL5863060 0.94 KCNQ2 (0.58) KCNQ2CYP3A4KCNQ3CYP1A2CYP19A1
SCHEMBL5863063 0.94 KCNQ2 (0.58) KCNQ2CYP3A4KCNQ3CYP1A2CYP19A1
SCHEMBL5863062 0.94 KCNQ2 (0.58) KCNQ2CYP3A4KCNQ3CYP1A2CYP19A1
SCHEMBL5863188 0.92 KCNQ2 (0.61) KCNQ2CYP3A4KCNQ3CYP1A2CYP19A1
SCHEMBL5863194 0.92 KCNQ2 (0.61) KCNQ2CYP3A4KCNQ3CYP1A2CYP19A1
SCHEMBL5863184 0.92 KCNQ2 (0.61) KCNQ2CYP3A4KCNQ3CYP1A2CYP19A1
SCHEMBL5863130 0.92 KCNQ3 (0.71) KCNQ2CYP3A4KCNQ3CYP1A2CYP19A1
SCHEMBL5863134 0.92 KCNQ3 (0.71) KCNQ2CYP3A4KCNQ3CYP1A2CYP19A1

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
US-7087609-B2 3-(pyridinyl-piperazin-1-yl)-phenylethyl amides as potassium channel openers BRISTOL-MYERS SQUIBB COMPANY (US) 2006-08-08 US claimed
US-20040110765-A1 3-(Pyridinyl-piperazin-1-yl)-phenylethyl amides as potassium channel openers BRISTOL-MYERS SQUIBB COMPANY 2004-06-10 US claimed
EP-1572112-A4 3-(PYRIDINYL-PIPERAZIN-1-YL)-PHENYLETHYL AMIDES AS POTASSIUM CHANNEL OPENERS BRISTOL MYERS SQUIBB CO (US) 2006-12-06 EP disclosed
US-7087609-B2 3-(pyridinyl-piperazin-1-yl)-phenylethyl amides as potassium channel openers BRISTOL-MYERS SQUIBB COMPANY (US) 2006-08-08 US disclosed
EP-1572112-A2 3-(PYRIDINYL-PIPERAZIN-1-YL)-PHENYLETHYL AMIDES AS POTASSIUM CHANNEL OPENERS Bristol-Myers Squibb Company (US) 2005-09-14 EP disclosed
WO-2004047745-A2 3-(PYRIDINYL-PIPERAZIN-1-YL)-PHENYLETHYL AMIDES AS POTASSIUM CHANNEL OPENERS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-06-10 WO 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 KCNQ2 3/4885CYP3A4 783/4885KCNQ3 1/4885

“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.