SCHEMBL5997232

SCHEMBL5997232

CCOc1ccc2c(c1)CC1CC2CN(Cc2ccccc2)C1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.56
CHRNA4 P43681 2/20 0.56
SLC6A2 P23975 1/20 0.46
SLC6A4 P31645 1/20 0.46
SLC6A3 Q01959 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.43
FAAH O00519 2/20 0.41
MAPK1 P28482 2/20 0.41
PKM P14618 1/20 0.41
DRD2 P14416 2/20 0.40
DRD3 P35462 2/20 0.40
GRIN1 Q05586 2/20 0.39
GRIN2B Q13224 2/20 0.39
CHRNB4 P30926 1/20 0.39
CHRNA3 P32297 1/20 0.39
CHRNA7 P36544 1/20 0.39
DRD4 P21917 1/20 0.39
TP53 P04637 1/20 0.39
THRB P10828 1/20 0.39
LMNA P02545 2/20 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
Hydrochloric Acid SCHEMBL6814278 0.99 CHRNB2 (0.55) CHRNB2CHRNA4SLC6A2SLC6A4SLC6A3
SCHEMBL5997736 0.88 CHRNB2 (0.52) CHRNB2CHRNA4SLC6A2SLC6A4SLC6A3
Hydrochloric Acid SCHEMBL5995210 0.87 CHRNB2 (0.51) CHRNB2CHRNA4SLC6A2SLC6A4SLC6A3
SCHEMBL6778792 0.84 FAAH (0.45) CHRNB2CHRNA4FAAHMAPK1DRD2
SCHEMBL6777528 0.83 SLC6A2 (0.43) SLC6A2SLC6A4SLC6A3MAPK1DRD2
SCHEMBL5996730 0.83 CHRNB2 (0.55) CHRNB2CHRNA4SLC6A4DRD2DRD3
Hydrochloric Acid SCHEMBL6773315 0.82 SLC6A2 (0.43) SLC6A2SLC6A4SLC6A3MAPK1DRD2
SCHEMBL5996688 0.81 DRD2 (0.46) CHRNB2CHRNA4DRD2DRD3CHRNA7
Hydrochloric Acid SCHEMBL7860155 0.81 DRD2 (0.46) DRD2DRD3DRD4
SCHEMBL5996694 0.80 CHRNB2 (0.49) CHRNB2CHRNA4DRD2DRD3CHRNB4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7122534-B2 Aryl fused azapolycyclic compounds PFIZER INC (US) 2006-10-17 US claimed
US-20050250806-A1 Nicotinic acetylcholine receptor antagonists in the treatment of restless legs syndrome PFIZER INC 2005-11-10 US claimed
EP-1439836-A1 NICOTINIC ACETYLCHOLINE RECEPTOR AGONISTS IN THE TREATMENT OF RESTLESS LEGS SYNDROME Pfizer Products Inc. (US) 2004-07-28 EP claimed
US-20030134844-A1 Nicontinic acetylcholine receptor antagonists in the treatment of restless legs syndrome PFIZER INC. 2003-07-17 US claimed
WO-2003037329-A1 NICOTINIC ACETYLCHOLINE RECEPTOR AGONISTS IN THE TREATMENT OF RESTLESS LEGS SYNDROME PFIZER PRODUCTS INC. (US) 2003-05-08 WO claimed
US-20050250806-A1 Nicotinic acetylcholine receptor antagonists in the treatment of restless legs syndrome PFIZER INC 2005-11-10 US disclosed
EP-1076650-B1 ARYL FUSED AZAPOLYCYCLIC COMPOUNDS PFIZER PROD INC (US) 2004-02-04 EP disclosed
US-20030134844-A1 Nicontinic acetylcholine receptor antagonists in the treatment of restless legs syndrome PFIZER INC. 2003-07-17 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 (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 CHRNB2 18/4885CHRNA4 8/4885SLC6A2 153/4885
US-20050250806-A1 Nicotinic acetylcholine receptor antagonists in the treatment of restless legs syndrome CHRNA5, CHRNA1, CHRNA2 CHRNB2 19/4885CHRNA4 4/4885SLC6A2 192/4885

“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.