SCHEMBL4535241

SCHEMBL4535241

BrCCC=C(c1ccccc1)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.47
TBXAS1 P24557 10/20 0.45
CHRNB2 P17787 1/20 0.44
CHRNB4 P30926 1/20 0.44
CHRNA3 P32297 1/20 0.44
CHRNA4 P43681 1/20 0.44
MTNR1A P48039 1/20 0.44
MTNR1B P49286 1/20 0.44
TBXA2R P21731 1/20 0.41
PTPN1 P18031 1/20 0.41
GSK3B P49841 1/20 0.41

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
SCHEMBL9528603 0.89 CYP19A1 (0.50) TBXAS1TBXA2R
SCHEMBL9528596 0.89 CYP19A1 (0.50) TBXAS1TBXA2R
SCHEMBL8511316 0.87 SIGMAR1 (0.53) SIGMAR1TBXAS1TBXA2R
SCHEMBL8216126 0.87 SIGMAR1 (0.53) SIGMAR1TBXAS1TBXA2R
SCHEMBL9092744 0.85 SIGMAR1 (0.53) SIGMAR1TBXAS1CHRNB2CHRNB4CHRNA3
SCHEMBL7535000 0.81 MTNR1A (0.47) SIGMAR1TBXAS1CHRNB2CHRNB4CHRNA3
SCHEMBL9525610 0.80 SIGMAR1 (0.44) SIGMAR1PTPN1
SCHEMBL9525605 0.80 SIGMAR1 (0.44) SIGMAR1PTPN1
SCHEMBL9717829 0.79 TBXAS1 (0.53) SIGMAR1TBXAS1CHRNB2CHRNB4CHRNA3
SCHEMBL10991192 0.78 TBXAS1 (0.40) TBXAS1MTNR1AMTNR1BPTPN1GSK3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7488755-B2 Derivatives of glycinergic R(+)-2-amino-3-hydroxypropanoic acid PRESTWICK PHARMACEUTICALS, INC. (US) 2009-02-10 US disclosed
US-20060287298-A1 Pharmaceutical for treatment of neurological and neuropsychiatric disorders ALLELIX NEUROSCIENCE INC. 2006-12-21 US disclosed
EP-1014966-B1 PHARMACEUTICAL FOR TREATMENT OF NEUROLOGICAL AND NEUROPSYCHIATRIC DISORDERS ALLELIX NEUROSCIENCE INC (US) 2006-08-02 EP disclosed
US-7019024-B2 Pharmaceutical for treatment of neurological and neuropsychiatric disorders ALLELIX NEUROSCIENCE INC. (US) 2006-03-28 US disclosed
EP-0812318-B1 4-AMINOTETRAHYDROBENZISOXAZOLE OR -ISOTHIAZOLE COMPOUNDS LUNDBECK & CO AS H (DK) 2006-02-08 EP disclosed
US-20050261372-A1 Derivatives of glycinergic r(+)-2-amino-3-hydroxypropanoic acid ORAPHARMA, INC. 2005-11-24 US disclosed
EP-1529030-A2 DERIVATIVES OF GLYCINERGIC R(+)-2-AMINO-3-HYDROXYPROPANOIC ACID Prestwick Pharmaceuticals, Inc. (US) 2005-05-11 EP disclosed
WO-2004016580-A2 DERIVATIVES OF GLYCINERGIC R(+)-2-AMINO-3-HYDROXYPROPANOIC ACID PRESTWICK PHARMACEUTICALS, INC. (US) 2004-02-26 WO disclosed
EP-1037635-A4 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORP (US) 2002-11-13 EP disclosed
US-6476028-B1 Compounds and methods SMITHKLINE BEECHAM CORPORATION 2002-11-05 US disclosed
US-5393759-A Isochromane derivatives AKZO N.V. (NL) 1995-02-28 US disclosed
US-5334720-A Diphenyl-1-(aminoalkyl)-2-piperidinone and -2-pyrrolidinone derivatives having anticonvulsant properties FISONS CORPORATION (US) 1994-08-02 US disclosed
US-5238939-A Isochromane derivatives AKZO N.V. (NL) 1993-08-24 US disclosed
EP-0458387-A1 Isochromane derivatives Akzo Nobel N.V. (NL) 1991-11-27 EP disclosed
US-4882331-A ANTIDEPRESSANTS LES LABORATOIRES MERAM (FR) 1989-11-21 US disclosed
EP-0288360-A1 Derivatives of 1-[(1,1-diphenyl)-1-alkenyl] piperazine, process for their preparation and compositions containing them Société anonyme: LES LABORATOIRES MERAM (FR) 1988-10-26 EP disclosed
US-4514414-A NEUROLEPTIC AGENTS SMITHKLINE BECKMAN CORPORATION (US) 1985-04-30 US disclosed
EP-0066456-B1 N-SUBSTITUTED AZAHETEROCYCLIC CARBOXYLIC ACIDS AND THEIR ESTERS SMITHKLINE BECKMAN CORPORATION (US) 1985-04-24 EP disclosed
US-4383999-A GAMMA-AMINOBUTYRIC ACID SEDATIVES, ANALGESTICS, ANTIEPILEPTIC, MUSCULAR AND PSYCHOLOGICAL DISORDERS SMITHKLINE BECKMAN CORPORATION (US) 1983-05-17 US disclosed
EP-0066456-A1 N-substituted azaheterocyclic carboxylic acids and their esters SMITHKLINE BECKMAN CORPORATION (US) 1982-12-08 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-20060287298-A1 Pharmaceutical for treatment of neurological and neuropsychiatric disorders SLC18A2, SLC6A1, SLC6A11 SIGMAR1 2305/4885TBXAS1 2326/4885CHRNB2 459/4885
US-20050261372-A1 Derivatives of glycinergic r(+)-2-amino-3-hydroxypropanoic acid GLRA3, GLRA1, GLRA2 SIGMAR1 1039/4885TBXAS1 4196/4885CHRNB2 123/4885

“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.