SCHEMBL4065112

SCHEMBL4065112

OCCC#Cc1cccnc1

nearest known ligand 0.69

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 5/20 0.63
CHRNA4 P43681 5/20 0.63
CYP2A6 P11509 5/20 0.62
CYP2C9 P11712 3/20 0.62
CYP2B6 P20813 3/20 0.62
CYP2C19 P33261 3/20 0.62
CYP2E1 P05181 2/20 0.62
CYP3A4 P08684 2/20 0.62
CYP2D6 P10635 2/20 0.62
CYP1A2 P05177 1/20 0.61
CYP2C8 P10632 1/20 0.61
DRD2 P14416 1/20 0.46
DRD4 P21917 1/20 0.46
DRD3 P35462 1/20 0.46
FFAR1 O14842 1/20 0.45
ASIC3 Q9UHC3 1/20 0.44
GRM5 P41594 1/20 0.42

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
SCHEMBL1841748 0.89 CHRNB2 (0.64) CHRNB2CHRNA4CYP2A6CYP2C9CYP2B6
SCHEMBL9262058 0.88 CHRNB2 (0.62) CHRNB2CHRNA4CYP2A6CYP2C9CYP2B6
SCHEMBL10893588 0.86 CHRNB2 (0.60) CHRNB2CHRNA4CYP2A6CYP2C9CYP2B6
SCHEMBL2155811 0.85 CYP2A6 (0.67) CHRNB2CHRNA4CYP2A6CYP2C9CYP2B6
SCHEMBL30938347 0.85 CYP2A6 (0.67) CHRNB2CHRNA4CYP2A6CYP2C9CYP2B6
SCHEMBL3044684 0.83 CHRNB2 (0.70) CHRNB2CHRNA4CYP2A6CYP2C9CYP2B6
SCHEMBL5376053 0.81 CHRNB2 (0.63) CHRNB2CHRNA4CYP2A6CYP2C9CYP2B6
SCHEMBL14085289 0.81 CHRNB2 (0.69) CHRNB2CHRNA4CYP2A6CYP2C9CYP2B6
SCHEMBL14085349 0.81 CYP2A6 (0.73) CHRNB2CHRNA4CYP2A6CYP2C9CYP2B6
SCHEMBL5032508 0.79 CHRNB2 (0.59) CHRNB2CHRNA4CYP2A6CYP2C9CYP2B6

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 43 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9828338-B2 Carbamate derivatives of lactam based N-acylethanolamine acid amidase (NAAA) inhibitors THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2017-11-28 US disclosed
US-20160068482-A1 CARBAMATE DERIVATIVES OF LACTAM BASED N-ACYLETHANOLAMINE ACID AMIDASE (NAAA) INHIBITORS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2016-03-10 US disclosed
WO-2014144836-A2 CARBAMATE DERIVATIVES OF LACTAM BASED N-ACYLETHANOLAMINE ACID AMIDASE (NAAA) INHIBITORS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2014-09-18 WO disclosed
EP-0900200-B9 PHARMACEUTICAL COMPOSITIONS FOR PREVENTION AND TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS TARGACEPT INC (US) 2009-10-21 EP disclosed
EP-0900200-B1 PHARMACEUTICAL COMPOSITIONS FOR PREVENTION AND TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS TARGACEPT INC (US) 2008-12-03 EP disclosed
EP-1997806-A1 Pahrmaceutical compositions for prevention and treatment of central nervous system disorders Targacept, Inc. (US) 2008-12-03 EP disclosed
EP-0801527-B1 PHARMACEUTICAL COMPOSITIONS FOR PREVENTION AND TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS TARGACEPT INC (US) 2006-07-26 EP disclosed
US-6924278-B2 Heterocyclic carboxy amines such as (2R)-1-[3,5-Bis(trifluoromethyl)benzoyl]-4-[4-((3S)-3-ethylmorpholino)-2-butynyl]-2-[(1H-indol-3-yl)methyl]piperazine, used as substance P and neurokinin antagonist for prophylaxis of diseases FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2005-08-02 US disclosed
US-20050027121-A1 Aroyl-piperazine derivatives, their preparation and their use as tachykinin antagonists FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2005-02-03 US disclosed
EP-1465895-A2 4-OXO-4,7-DIHYDROFURO(2,3-B)PYRIDINE-5-CARBOXAMIDE ANTIVIRAL AGENTS PHARMACIA & UPJOHN COMPANY (US) 2004-10-13 EP disclosed
US-5616707-A N-METHYL-4-PYRIDYL-3-BUT(ENE OR YNE)-1-AMINE TARGACEPT, INC. 1997-04-01 US disclosed
US-5616716-A (3-(5-ethoxypyridin)yl)-alkenyl 1 amine compounds TARGACEPT, INC. 1997-04-01 US disclosed
US-5604231-A NON-STEROIDAL ANTIINFLAMMATORY AGENTS, DOPAMINERGIC AGENTS; SIDE EFFECT REDUCTION TARGACEPT, INC. 1997-02-18 US disclosed
US-5597919-A TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS RESULTING FROM NEUROTRANSMITTER DYSFUNCTION TARGACEPT, INC., A CORPORATION OF DELAWARE 1997-01-28 US disclosed
WO-1996020929-A1 PHARMACEUTICAL COMPOSITIONS FOR PREVENTION AND TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS R.J. REYNOLDS TOBACCO COMPANY (US) 1996-07-11 WO disclosed
WO-1996020599-A1 PHARMACEUTICAL COMPOSITIONS FOR PREVENTION AND TREATMENT OF ULCERATIVE COLITIS R.J. REYNOLDS TOBACCO COMPANY (US) 1996-07-11 WO disclosed
WO-1996020600-A1 PHARMACEUTICAL COMPOSITIONS FOR PREVENTION AND TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS R.J. REYNOLDS TOBACCO COMPANY (US) 1996-07-11 WO disclosed
US-5428168-A Substituted butyrolactol ether derivative BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 1995-06-27 US disclosed
EP-0527817-A1 GAMMA-BUTYROLACTOL ETHER DERIVATIVES BRITISH BIO-TECHNOLOGY LIMITED (GB) 1993-02-24 EP disclosed
WO-1991017157-A1 GAMMA-BUTYROLACTOL ETHER DERIVATIVES BRITISH BIO-TECHNOLOGY LIMITED (GB) 1991-11-14 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 (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-20160068482-A1 CARBAMATE DERIVATIVES OF LACTAM BASED N-ACYLETHANOLAMINE ACID AMIDASE (NAAA) INHIBITORS NAAA, FAAH, FAAH2 CHRNB2 2192/4885CHRNA4 1543/4885CYP2A6 537/4885
US-20050027121-A1 Aroyl-piperazine derivatives, their preparation and their use as tachykinin antagonists TAC3, TACR1, SSTR5 CHRNB2 549/4885CHRNA4 543/4885CYP2A6 2814/4885

“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.