SCHEMBL6360585

SCHEMBL6360585

N=c1ccc(Cl)nn1Cc1cccnc1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.48
PKM P14618 1/20 0.48
P2RX7 Q99572 9/20 0.46
CHRNB2 P17787 1/20 0.44
CHRNA4 P43681 1/20 0.44
TRPA1 O75762 1/20 0.43
SIGMAR1 Q99720 1/20 0.43
CYP11B1 P15538 1/20 0.43
ADRA1D P25100 1/20 0.41
CHRM1 P11229 1/20 0.39
DRD2 P14416 1/20 0.39
DRD4 P21917 1/20 0.39
DRD3 P35462 1/20 0.39
MARS1 P56192 1/20 0.39

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
SCHEMBL2968713 0.82 ALDH1A1 (0.48) ALDH1A1PKMP2RX7CHRNB2CHRNA4
SCHEMBL6358757 0.80 LMNA (0.55) CHRNB2CHRNA4
SCHEMBL7508760 0.78 P2RX7 (0.52) ALDH1A1PKMP2RX7CHRNB2CHRNA4
SCHEMBL6358471 0.70 ALDH1A1 (0.48) ALDH1A1PKMP2RX7CHRNB2CHRNA4
SCHEMBL7503535 0.68 CHRNA7 (0.48) CHRNB2CHRNA4CYP11B1
SCHEMBL6360177 0.68 ALDH1A1 (0.53) ALDH1A1PKMP2RX7CHRNB2CHRNA4
SCHEMBL7510438 0.67 ALDH1A1 (0.64) ALDH1A1PKMP2RX7CHRNB2CHRNA4
SCHEMBL42240 0.66
SCHEMBL25205149 0.66 NR3C1 (0.47) ALDH1A1PKMP2RX7TRPA1SIGMAR1
SCHEMBL25234793 0.66 GRIN2B (0.54) ALDH1A1PKMP2RX7

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 12 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
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 (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-20030134844-A1 Nicontinic acetylcholine receptor antagonists in the treatment of restless legs syndrome CHRNA5, CHRNA1, CHRNA7 ALDH1A1 2718/4885PKM 3444/4885P2RX7 74/4885
US-20050250806-A1 Nicotinic acetylcholine receptor antagonists in the treatment of restless legs syndrome CHRNA5, CHRNA1, CHRNA2 ALDH1A1 2690/4885PKM 2939/4885P2RX7 95/4885

“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.