SCHEMBL6358757

SCHEMBL6358757

N=c1ccc(Cl)nn1Cc1ccc(Cl)nc1

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.55
CHRNA1 P02708 3/20 0.50
CHRNA7 P36544 3/20 0.50
CHRNB2 P17787 2/20 0.50
CHRNA4 P43681 2/20 0.50
GAA P10253 1/20 0.46
MAPT P10636 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
GRM2 Q14416 1/20 0.45
CHRNA3 P32297 1/20 0.43

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
SCHEMBL7115910 0.84 LMNA (0.42) LMNACHRNA1CHRNA7CHRNB2CHRNA4
SCHEMBL7503535 0.83 CHRNA7 (0.48) LMNACHRNA1CHRNA7CHRNB2CHRNA4
SCHEMBL6360585 0.80 ALDH1A1 (0.48) CHRNB2CHRNA4
SCHEMBL6415820 0.75 LMNA (0.57) LMNACHRNA1CHRNA7CHRNB2CHRNA4
SCHEMBL7498186 0.74 CHRNB2 (0.55) LMNACHRNA1CHRNA7CHRNB2CHRNA4
SCHEMBL6358476 0.73 CHRNA1 (0.57) LMNACHRNA1CHRNA7CHRNB2CHRNA4
SCHEMBL6323492 0.72 CHRNB2 (0.65) LMNACHRNA1CHRNA7CHRNB2CHRNA4
SCHEMBL8598824 0.72 LMNA (0.50) LMNACHRNA1CHRNA7CHRNB2CHRNA4
SCHEMBL7504431 0.72 LMNA (0.55) LMNACHRNA1CHRNA7CHRNB2CHRNA4
SCHEMBL2643692 0.72

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-20050250806-A1 Nicotinic acetylcholine receptor antagonists in the treatment of restless legs syndrome PFIZER INC 2005-11-10 US claimed
US-20030134844-A1 Nicontinic acetylcholine receptor antagonists in the treatment of restless legs syndrome PFIZER INC. 2003-07-17 US claimed
EP-0857725-B1 (N-(pyridinylmethyl)-heterocyclic)-ylideneamine compounds as nicotinic acetylcholine receptor binding agents PFIZER (US) 2001-07-25 EP claimed
US-6020335-A (N-(pyridinylmethyl)-heterocyclic)ylideneamine compounds as nicotinic acetylcholine receptor binding agents PFIZER INC (US) 2000-02-01 US claimed
EP-0857725-A1 (N-(pyridinylmethyl)-heterocyclic)-ylideneamine compounds as nicotinic acetylcholine receptor binding agents PFIZER INC. (US) 1998-08-12 EP claimed
US-20050250806-A1 Nicotinic acetylcholine receptor antagonists in the treatment of restless legs syndrome PFIZER INC 2005-11-10 US disclosed
EP-1439836-A1 NICOTINIC ACETYLCHOLINE RECEPTOR AGONISTS IN THE TREATMENT OF RESTLESS LEGS SYNDROME Pfizer Products Inc. (US) 2004-07-28 EP disclosed
US-20030134844-A1 Nicontinic acetylcholine receptor antagonists in the treatment of restless legs syndrome PFIZER INC. 2003-07-17 US disclosed
WO-2003037329-A1 NICOTINIC ACETYLCHOLINE RECEPTOR AGONISTS IN THE TREATMENT OF RESTLESS LEGS SYNDROME PFIZER PRODUCTS INC. (US) 2003-05-08 WO disclosed
US-20020028809-A1 Heterocyclic compounds having effect of activating a4beta2 nicotinic acetylcholine receptors SUNTORY LIMITED 2002-03-07 US disclosed
EP-1176141-A1 HETEROCYCLIC COMPOUNDS HAVING EFFECT OF ACTIVATING NICOTINIC ACETYLCHOLINE $g(a)4$g(b)2 RECEPTOR SUNTORY LIMITED (JP) 2002-01-30 EP disclosed
EP-0857725-B1 (N-(pyridinylmethyl)-heterocyclic)-ylideneamine compounds as nicotinic acetylcholine receptor binding agents PFIZER (US) 2001-07-25 EP disclosed
US-6020335-A (N-(pyridinylmethyl)-heterocyclic)ylideneamine compounds as nicotinic acetylcholine receptor binding agents PFIZER INC (US) 2000-02-01 US disclosed
EP-0857725-A1 (N-(pyridinylmethyl)-heterocyclic)-ylideneamine compounds as nicotinic acetylcholine receptor binding agents PFIZER INC. (US) 1998-08-12 EP 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 (3 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-20020028809-A1 Heterocyclic compounds having effect of activating a4beta2 nicotinic acetylcholine receptors CHRNA2, CHRNA7, CHRNB2 LMNA 3137/4885CHRNA1 6/4885CHRNA7 2/4885
US-20030134844-A1 Nicontinic acetylcholine receptor antagonists in the treatment of restless legs syndrome CHRNA5, CHRNA1, CHRNA7 LMNA 1543/4885CHRNA1 2/4885CHRNA7 3/4885
US-20050250806-A1 Nicotinic acetylcholine receptor antagonists in the treatment of restless legs syndrome CHRNA5, CHRNA1, CHRNA2 LMNA 1339/4885CHRNA1 2/4885CHRNA7 5/4885

“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.