SCHEMBL1648642

SCHEMBL1648642

Nc1ncccn1.O=C(O)Cc1ccc(CC(=O)O)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 2/20 0.58
GABRD O14764 2/20 0.58
GABRA1 P14867 2/20 0.58
GABRB1 P18505 2/20 0.58
GABRG2 P18507 2/20 0.58
GABRB3 P28472 2/20 0.58
GABRA5 P31644 2/20 0.58
GABRA3 P34903 2/20 0.58
GABRA2 P47869 2/20 0.58
GABRB2 P47870 2/20 0.58
GABRA4 P48169 2/20 0.58
GABRE P78334 2/20 0.58
GABRA6 Q16445 2/20 0.58
GABRG1 Q8N1C3 2/20 0.58
GABRG3 Q99928 2/20 0.58
GABRQ Q9UN88 2/20 0.58
AKR1B1 P15121 1/20 0.58
LMNA P02545 2/20 0.55
GAA P10253 2/20 0.55
TSHR P16473 2/20 0.55

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
Succinic Acid SCHEMBL1650212 0.80 HSP90AA1 (0.57) GABRPGABRDGABRA1GABRB1GABRG2
Bicarbonate SCHEMBL10681140 0.79 HSP90AA1 (0.71) GABRPGABRDGABRA1GABRB1GABRG2
Phenylacetic Acid SCHEMBL28818261 0.79 AKR1B1 (0.71) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL69614 0.79 CA2 (0.79) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL2334583 0.78 GABRA5 (0.62) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL39103 0.78 CA2 (0.62) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL1331730 0.78 CA2 (0.62) GABRPGABRDGABRA1GABRB1GABRG2
Carbamic Acid SCHEMBL1413116 0.77 HSP90AA1 (0.67) LMNATSHRHSP90AA1NAPRTP4HTM
Hydrochloric Acid SCHEMBL25180348 0.77 CA2 (0.75) GABRPGABRDGABRA1GABRB1GABRG2
Hydrochloric Acid SCHEMBL6765874 0.77 CA2 (0.75) GABRPGABRDGABRA1GABRB1GABRG2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1608339-B8 PHARMACEUTICAL CO-CRYSTAL OF CELECOXIB-NICOTINAMIDE MCNEIL PPC INC (US) 2012-04-25 EP claimed
US-20070026078-A1 Pharmaceutical co-crystal compositions TRANSFORM PHARMACEUTICALS, INC. (US) 2007-02-01 US claimed
EP-1631260-A2 PHARMACEUTICAL CO-CRYSTAL COMPOSITIONS OF DRUGS SUCH AS CARBAMAZEPINE, CELECOXIB, OLANZAPINE, ITRACONAZOLE, TOPIRAMATE, MODAFINIL, 5-FLUOROURACIL, HYDROCHLOROTHAZIDE, ACETAMINOPHEN, ASPIRIN, FLURBIPROFEN, PHENYTOIN AND IBUPROFEN Transform Pharmaceuticals, Inc. (US) 2006-03-08 EP claimed
EP-1608339-A1 PHARMACEUTICAL CO-CRYSTAL COMPOSITIONS OF DRUGS SUCH AS CARBAMAZEPINE, CELECOXIB, OLANZAPINE, ITRACONAZOLE, TOPIRAMATE, MODAFINIL, 5-FLUOROURACIL, HYDROCHLOROTHIAZIDE, ACETAMINOPHEN, ASPIRIN, FLURBIPROFEN, PHENYTOIN AND IBUPROFEN Transform Pharmaceuticals, Inc. (US) 2005-12-28 EP claimed
WO-2004078161-A1 PHARMACEUTICAL CO-CRYSTAL COMPOSITIONS OF DRUGS SUCH AS CARBAMAZEPTINE, CELECOXIB, OLANZAPINE, ITRACONAZOLE, TOPIRAMATE, MODAFINIL, 5-FLUOROURACIL, HYDROCHLOROTHIAZIDE, ACETAMINOPHEN, ASPIRIN, FLURBIPROFEN, PHENYTOIN AND IBUPROFEN TRANSFORM PHARMACEUTICALS, INC. (US) 2004-09-16 WO claimed
WO-2004078163-A2 PHARMACEUTICAL CO-CRYSTAL COMPOSITIONS OF DRUGS SUCH AS CARBAMAZEPINE, CELECOXIB, OLANZAPINE, ITRACONAZOLE, TOPIRAMATE, MODAFINIL, 5-FLUOROURACIL, HYDROCHLOROTHIAZIDE, ACETAMINOPHEN, ASPIRIN, FLURBIPROFEN, PHENYTOIN AND IBUPROFEN TRANSFORM PHARMACEUTICALS, INC. (US) 2004-09-16 WO claimed
EP-1608339-B8 PHARMACEUTICAL CO-CRYSTAL OF CELECOXIB-NICOTINAMIDE MCNEIL PPC INC (US) 2012-04-25 EP disclosed
US-7927613-B2 Pharmaceutical co-crystal compositions UNIVERSITY OF SOUTH FLORIDA (US) 2011-04-19 US disclosed
US-20100311701-A1 Pharmaceutical Co-Crystal Compositions TRANSFORM PHARMACEUTICALS, INC (US) 2010-12-09 US disclosed
US-20070059356-A1 Pharmaceutical co-crystal compositions of drugs such as carbamazepine, celecoxib, olanzapine, itraconazole, topiramate, modafinil, 5-fluorouracil, hydrochlorothiazide, acetaminophen, aspirin, flurbiprofen, phenytoin and ibuprofen REGENTS OF THE UNIVERSITY OF MICHIGAN, THE 2007-03-15 US disclosed
US-20070026078-A1 Pharmaceutical co-crystal compositions TRANSFORM PHARMACEUTICALS, INC. (US) 2007-02-01 US disclosed
EP-1631260-A2 PHARMACEUTICAL CO-CRYSTAL COMPOSITIONS OF DRUGS SUCH AS CARBAMAZEPINE, CELECOXIB, OLANZAPINE, ITRACONAZOLE, TOPIRAMATE, MODAFINIL, 5-FLUOROURACIL, HYDROCHLOROTHAZIDE, ACETAMINOPHEN, ASPIRIN, FLURBIPROFEN, PHENYTOIN AND IBUPROFEN Transform Pharmaceuticals, Inc. (US) 2006-03-08 EP disclosed
EP-1608339-A1 PHARMACEUTICAL CO-CRYSTAL COMPOSITIONS OF DRUGS SUCH AS CARBAMAZEPINE, CELECOXIB, OLANZAPINE, ITRACONAZOLE, TOPIRAMATE, MODAFINIL, 5-FLUOROURACIL, HYDROCHLOROTHIAZIDE, ACETAMINOPHEN, ASPIRIN, FLURBIPROFEN, PHENYTOIN AND IBUPROFEN Transform Pharmaceuticals, Inc. (US) 2005-12-28 EP disclosed
WO-2004078161-A1 PHARMACEUTICAL CO-CRYSTAL COMPOSITIONS OF DRUGS SUCH AS CARBAMAZEPTINE, CELECOXIB, OLANZAPINE, ITRACONAZOLE, TOPIRAMATE, MODAFINIL, 5-FLUOROURACIL, HYDROCHLOROTHIAZIDE, ACETAMINOPHEN, ASPIRIN, FLURBIPROFEN, PHENYTOIN AND IBUPROFEN TRANSFORM PHARMACEUTICALS, INC. (US) 2004-09-16 WO disclosed
WO-2004078163-A2 PHARMACEUTICAL CO-CRYSTAL COMPOSITIONS OF DRUGS SUCH AS CARBAMAZEPINE, CELECOXIB, OLANZAPINE, ITRACONAZOLE, TOPIRAMATE, MODAFINIL, 5-FLUOROURACIL, HYDROCHLOROTHIAZIDE, ACETAMINOPHEN, ASPIRIN, FLURBIPROFEN, PHENYTOIN AND IBUPROFEN TRANSFORM PHARMACEUTICALS, INC. (US) 2004-09-16 WO disclosed