SCHEMBL4833478

SCHEMBL4833478

CCOC(=O)c1cncn1-c1ccc(F)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRB2 P47870 5/20 0.54
GABRA2 P47869 2/20 0.54
KDM4E B2RXH2 3/20 0.51
ALDH1A1 P00352 3/20 0.51
GAA P10253 2/20 0.51
MAPK1 P28482 1/20 0.51
LMNA P02545 2/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
GABRA1 P14867 4/20 0.48
CYP11B2 P19099 3/20 0.48
CYP1A2 P05177 2/20 0.48
CYP3A4 P08684 2/20 0.48
CYP11B1 P15538 2/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
ABCB11 O95342 1/20 0.48
POLB P06746 2/20 0.47
CHRNA7 P36544 1/20 0.44
NOD2 Q9HC29 1/20 0.44

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
SCHEMBL14167459 0.87 GABRB2 (0.49) GABRB2GABRA2KDM4EALDH1A1GAA
SCHEMBL4001832 0.86 CYP11B2 (0.48) GABRB2GABRA2ALDH1A1LMNANPC1
SCHEMBL1541405 0.86 GABRB2 (0.60) GABRB2GABRA2KDM4EALDH1A1GAA
SCHEMBL22717699 0.85 RAB9A (0.54) GABRB2GABRA2KDM4EALDH1A1GAA
SCHEMBL16099735 0.83 CYP11B2 (0.50) GABRB2GABRA2KDM4EALDH1A1MAPK1
SCHEMBL24013805 0.80 GABRG2 (0.44) GABRB2GABRA2KDM4EALDH1A1GAA
SCHEMBL899443 0.80 GABRB2 (0.44) GABRB2GABRA2ALDH1A1LMNAGABRA1
SCHEMBL30228350 0.80 GABRG2 (0.44) GABRB2GABRA2KDM4EALDH1A1GAA
SCHEMBL898835 0.80 GABRA1 (0.50) GABRB2GABRA2KDM4EALDH1A1GAA
SCHEMBL29276897 0.79 GABRG2 (0.44) GABRB2GABRA2KDM4EALDH1A1GAA

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
US-8703776-B2 Agonists of GPR131 and uses thereof CYMABAY THERAPEUTICS, INC. (US) 2014-04-22 US disclosed
US-8703776-B2 Agonists of GPR131 and uses thereof CYMABAY THERAPEUTICS, INC. (US) 2014-04-22 US disclosed
US-8703776-B2 Agonists of GPR131 and uses thereof CYMABAY THERAPEUTICS, INC. (US) 2014-04-22 US disclosed
US-20130059856-A1 AGONISTS OF GPR131 AND USES THEREOF METABOLEX, INC. 2013-03-07 US disclosed
US-20130059856-A1 AGONISTS OF GPR131 AND USES THEREOF METABOLEX, INC. 2013-03-07 US disclosed
US-20130059856-A1 AGONISTS OF GPR131 AND USES THEREOF METABOLEX, INC. 2013-03-07 US disclosed
WO-2012174164-A2 AGONISTS OF GPR131 AND USES THEREOF METABOLEX, INC. (US) 2012-12-20 WO disclosed
WO-2012174164-A2 AGONISTS OF GPR131 AND USES THEREOF METABOLEX, INC. (US) 2012-12-20 WO disclosed
EP-2530078-A1 THIAZOLE DERIVATIVE Takeda Pharmaceutical Company Limited (JP) 2012-12-05 EP disclosed
US-20080287438-A1 Agent for preventing or treating neuropathy MOMOSE YU 2008-11-20 US disclosed
US-7423159-B2 Agent for preventing or treating neuropathy TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-09-09 US disclosed
CN-1731994-A Prophylactic and therapeutic agent for neuropathy TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2006-02-08 CN disclosed
US-20060004069-A1 Agent for preventing or treating neuropathy TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-01-05 US disclosed
EP-1556032-A1 AGENT FOR PREVENTING OR TREATING NEUROPATHY Takeda Pharmaceutical Company Limited (JP) 2005-07-27 EP disclosed
WO-2004039365-A1 AGENT FOR PREVENTING OR TREATING NEUROPATHY TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-05-13 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 (3 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-20130059856-A1 AGONISTS OF GPR131 AND USES THEREOF GPR119, GPR88, GPR27 GABRB2 174/4885GABRA2 148/4885KDM4E 4629/4885
US-20060004069-A1 Agent for preventing or treating neuropathy NR2C2, NR0B2, NR2E1 GABRB2 162/4885GABRA2 354/4885KDM4E 4406/4885
US-20080287438-A1 Agent for preventing or treating neuropathy NR2C2, NR0B2, NR2E1 GABRB2 162/4885GABRA2 354/4885KDM4E 4406/4885

“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.