SCHEMBL5997736

SCHEMBL5997736

COc1ccc2c(c1)CC1CC2CN(Cc2ccccc2)C1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.52
CHRNA4 P43681 2/20 0.52
CHRNB4 P30926 1/20 0.52
CHRNA3 P32297 1/20 0.52
CHRNA7 P36544 1/20 0.52
DRD2 P14416 3/20 0.52
DRD3 P35462 3/20 0.52
SIGMAR1 Q99720 7/20 0.50
HTR2C P28335 3/20 0.46
HTR2B P41595 3/20 0.46
HTR1A P08908 2/20 0.46
DRD4 P21917 2/20 0.46
SLC6A3 Q01959 2/20 0.46
TMEM97 Q5BJF2 2/20 0.46
ADRA2A P08913 1/20 0.46
ADRA2B P18089 1/20 0.46
ADRA2C P18825 1/20 0.46
SLC6A2 P23975 1/20 0.46
SLC6A4 P31645 1/20 0.46
OPRK1 P41145 1/20 0.46

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 SCHEMBL5995210 0.99 CHRNB2 (0.51) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL5996431 0.91 DRD3 (0.52) DRD2DRD3SIGMAR1HTR2CHTR2B
Hydrochloric Acid SCHEMBL5994492 0.89 DRD3 (0.51) DRD2DRD3SIGMAR1HTR2CHTR2B
SCHEMBL5997232 0.88 CHRNB2 (0.56) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
Hydrochloric Acid SCHEMBL6814278 0.87 CHRNB2 (0.55) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL6778792 0.86 FAAH (0.45) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL5996730 0.85 CHRNB2 (0.55) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL5996688 0.83 DRD2 (0.46) CHRNB2CHRNA4CHRNA7DRD2DRD3
SCHEMBL6777528 0.83 SLC6A2 (0.43) DRD2DRD3SLC6A3SLC6A2SLC6A4
Hydrochloric Acid SCHEMBL7860155 0.82 DRD2 (0.46) DRD2DRD3DRD4

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 19 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
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
EP-1076650-A1 ARYL FUSED AZAPOLYCYCLIC COMPOUNDS Pfizer Products Inc. (US) 2001-02-21 EP disclosed
WO-1999055680-A1 ARYL FUSED AZAPOLYCYCLIC COMPOUNDS PFIZER PRODUCTS INC. (US) 1999-11-04 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 (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 236/4885CHRNB4 524/4885
US-20030008890-A1 Aryl fused azapolycyclic compounds GRIN2C, GRIN2A, NR3C1 CHRNB2 309/4885CHRNA4 220/4885CHRNB4 443/4885
US-20030134844-A1 Nicontinic acetylcholine receptor antagonists in the treatment of restless legs syndrome CHRNA5, CHRNA1, CHRNA7 CHRNB2 18/4885CHRNA4 8/4885CHRNB4 20/4885
US-20040167149-A1 Aryl fused azapolycyclic compounds GRIN2C, GRIN2A, NR3C1 CHRNB2 309/4885CHRNA4 220/4885CHRNB4 443/4885
US-20050250806-A1 Nicotinic acetylcholine receptor antagonists in the treatment of restless legs syndrome CHRNA5, CHRNA1, CHRNA2 CHRNB2 19/4885CHRNA4 4/4885CHRNB4 20/4885

“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.