SCHEMBL320941

SCHEMBL320941

COc1nc(N2CCC(OC)CC2)nc(OC)c1N

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KCNQ3 O43525 8/20 0.52
KCNQ2 O43526 8/20 0.52
KCNQ4 P56696 1/20 0.52
KCNQ5 Q9NR82 1/20 0.52
MAP4K4 O95819 1/20 0.41
AOC3 Q16853 1/20 0.38
HTR2C P28335 1/20 0.37
IKBKB O14920 1/20 0.37

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
SCHEMBL13743574 0.81 CCR4 (0.44) KCNQ3KCNQ2KCNQ4KCNQ5MAP4K4
SCHEMBL322079 0.77 KCNQ3 (0.50) KCNQ3KCNQ2KCNQ4KCNQ5
SCHEMBL5765855 0.76 MAPK1 (0.50) KCNQ3KCNQ2
SCHEMBL4609021 0.75 MAP4K4 (0.41) KCNQ3KCNQ2MAP4K4
SCHEMBL21500109 0.72 MAP4K4 (0.55) KCNQ3KCNQ2KCNQ4KCNQ5MAP4K4
SCHEMBL11696330 0.71 HTT (0.53) KCNQ3KCNQ2HTR2C
SCHEMBL23578988 0.70 SCD (0.44) KCNQ3KCNQ2KCNQ4KCNQ5MAP4K4
SCHEMBL15740461 0.70 EGFR (0.49) MAP4K4
SCHEMBL29722778 0.70 EGFR (0.49) MAP4K4
SCHEMBL29959132 0.70 SCD (0.44) KCNQ3KCNQ2KCNQ4KCNQ5MAP4K4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8883812-B2 Piperidinyl pyrimidine amides as Kv7 potassium channel openers PFIZER INC. (US) 2014-11-11 US disclosed
US-20130150391-A1 Piperidinyl Pyrimidine Amides As KV7 Potassium Channel Openers PFIZER INC. (US) 2013-06-13 US disclosed
EP-2590961-A1 PIPERIDINYL PYRIMIDINE AMIDES AS KV7 POTASSIUM CHANNEL OPENERS Pfizer Inc (US) 2013-05-15 EP disclosed
WO-2012004698-A1 PIPERIDINYL PYRIMIDINE AMIDES AS KV7 POTASSIUM CHANNEL OPENERS PFIZER INC. (US) 2012-01-12 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 (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-20130150391-A1 Piperidinyl Pyrimidine Amides As KV7 Potassium Channel Openers KCNA7, KCNK17, KCNQ5 KCNQ3 6/4885KCNQ2 4/4885KCNQ4 7/4885

“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.