SCHEMBL5996730

SCHEMBL5996730

FC(F)Oc1ccc2c(c1)CC1CC2CN(Cc2ccccc2)C1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 3/20 0.55
CHRNA4 P43681 3/20 0.55
CHRNA7 P36544 2/20 0.55
KMT2A Q03164 1/20 0.43
DRD2 P14416 1/20 0.38
DRD3 P35462 1/20 0.38
S1PR5 Q9H228 5/20 0.37
S1PR1 P21453 3/20 0.37
CHRM4 P08173 1/20 0.37
NR1H2 P55055 2/20 0.36
NR1H3 Q13133 2/20 0.36
CHRNB4 P30926 1/20 0.36
CHRNA3 P32297 1/20 0.36
PDGFRA P16234 1/20 0.36
SLC6A4 P31645 1/20 0.36

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
SCHEMBL5997736 0.85 CHRNB2 (0.52) CHRNB2CHRNA4CHRNA7DRD2DRD3
Hydrochloric Acid SCHEMBL5995210 0.84 CHRNB2 (0.51) CHRNB2CHRNA4CHRNA7DRD2DRD3
SCHEMBL5997232 0.83 CHRNB2 (0.56) CHRNB2CHRNA4CHRNA7KMT2ADRD2
SCHEMBL5996688 0.83 DRD2 (0.46) CHRNB2CHRNA4CHRNA7DRD2DRD3
Hydrochloric Acid SCHEMBL6814278 0.82 CHRNB2 (0.55) CHRNB2CHRNA4CHRNA7KMT2ADRD2
Hydrochloric Acid SCHEMBL7860155 0.82 DRD2 (0.46) DRD2DRD3S1PR5S1PR1PDGFRA
SCHEMBL6778792 0.81 FAAH (0.45) CHRNB2CHRNA4CHRNA7DRD2DRD3
SCHEMBL5996694 0.81 CHRNB2 (0.49) CHRNB2CHRNA4CHRNA7DRD2DRD3
Hydrochloric Acid SCHEMBL5997163 0.80 CHRNB2 (0.48) CHRNB2CHRNA4CHRNA7DRD2DRD3
SCHEMBL5995135 0.79 ESR1 (0.53) CHRNB2CHRNA4DRD2DRD3

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 18 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
EP-1076650-B1 ARYL FUSED AZAPOLYCYCLIC COMPOUNDS PFIZER PROD INC (US) 2004-02-04 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-6462035-B1 BINDING TO NEURONAL NICOTINIC ACETYLCHOLINE SPECIFIC RECEPTOR; MODULATING CHOLINERGIC FUNCTION; REDUCING NICOTINE ADDICTION; INFLAMMATORY AND IRRITABLE BOWEL SYNDROME, SPASTIC DYSTONIA, CHRONIC AND ACUTE PAIN, EATING DISORDERS PFIZER INC. 2002-10-08 US claimed
US-7122534-B2 Aryl fused azapolycyclic compounds PFIZER INC (US) 2006-10-17 US disclosed
US-20050250806-A1 Nicotinic acetylcholine receptor antagonists in the treatment of restless legs syndrome PFIZER INC 2005-11-10 US disclosed
US-20040167149-A1 Aryl fused azapolycyclic compounds PFIZER INC 2004-08-26 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-6706702-B2 FOR THERAPY OF NEUROLOGICAL AND PSYCHOLOGICAL DISORDERS PFIZER INC. 2004-03-16 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
US-20030130261-A1 Aryl fused azapolycyclic compounds PFIZER INC 2003-07-10 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-20030008890-A1 Aryl fused azapolycyclic compounds COE JOTHAM WADSWORTH (US) 2003-01-09 US disclosed
US-6462035-B1 BINDING TO NEURONAL NICOTINIC ACETYLCHOLINE SPECIFIC RECEPTOR; MODULATING CHOLINERGIC FUNCTION; REDUCING NICOTINE ADDICTION; INFLAMMATORY AND IRRITABLE BOWEL SYNDROME, SPASTIC DYSTONIA, CHRONIC AND ACUTE PAIN, EATING DISORDERS PFIZER INC. 2002-10-08 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 (5 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-20030130261-A1 Aryl fused azapolycyclic compounds GRIN2C, GRIN2A, GRIN3A CHRNB2 297/4885CHRNA4 236/4885CHRNA7 182/4885
US-20030008890-A1 Aryl fused azapolycyclic compounds GRIN2C, GRIN2A, NR3C1 CHRNB2 309/4885CHRNA4 220/4885CHRNA7 201/4885
US-20030134844-A1 Nicontinic acetylcholine receptor antagonists in the treatment of restless legs syndrome CHRNA5, CHRNA1, CHRNA7 CHRNB2 18/4885CHRNA4 8/4885CHRNA7 3/4885
US-20040167149-A1 Aryl fused azapolycyclic compounds GRIN2C, GRIN2A, NR3C1 CHRNB2 309/4885CHRNA4 220/4885CHRNA7 201/4885
US-20050250806-A1 Nicotinic acetylcholine receptor antagonists in the treatment of restless legs syndrome CHRNA5, CHRNA1, CHRNA2 CHRNB2 19/4885CHRNA4 4/4885CHRNA7 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.