SCHEMBL1012705

SCHEMBL1012705

CC(C)COC(=O)N1CCC[C@@H]1C(=O)O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 1.00
HTT P42858 1/20 0.55
TSHR P16473 2/20 0.54
ALDH1A1 P00352 2/20 0.54
GAA P10253 1/20 0.54
ACE P12821 6/20 0.54
REN P00797 4/20 0.54
KDM4E B2RXH2 1/20 0.54
F2 P00734 1/20 0.54
LMNA P02545 1/20 0.54
LTA4H P09960 1/20 0.54
MAPT P10636 1/20 0.54
PEPD P12955 1/20 0.54
ALOX15 P16050 1/20 0.54
PTGS1 P23219 1/20 0.54
HTR2A P28223 1/20 0.54
PTGS2 P35354 1/20 0.54
HRH1 P35367 1/20 0.54
THPO P40225 1/20 0.54
PMP22 Q01453 1/20 0.54

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
SCHEMBL1010333 1.00 RAB9A (1.00) RAB9AHTTTSHRALDH1A1GAA
SCHEMBL1010332 1.00 RAB9A (1.00) RAB9AHTTTSHRALDH1A1GAA
SCHEMBL21225551 0.95 RAB9A (0.91) RAB9AHTTTSHRALDH1A1GAA
SCHEMBL21241511 0.95 RAB9A (0.91) RAB9AHTTTSHRALDH1A1GAA
SCHEMBL18190844 0.90 RAB9A (0.82) RAB9AHTTTSHRALDH1A1GAA
SCHEMBL7877696 0.90 RAB9A (0.82) RAB9AHTTTSHRALDH1A1GAA
SCHEMBL3680005 0.88 RAB9A (0.78) RAB9AHTTTSHRALDH1A1GAA
SCHEMBL3680002 0.88 RAB9A (0.78) RAB9AHTTTSHRALDH1A1GAA
SCHEMBL15148125 0.85 RAB9A (0.74) RAB9AHTTTSHRALDH1A1GAA
SCHEMBL8544043 0.84 RAB9A (0.72) RAB9AHTTTSHRALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016140878-A9 PRODRUGS RILUZOLE AND THEIR METHOD OF USE BIOHAVEN PHARMACEUTICAL HOLDING COMPANY LTD. (US) 2016-10-20 WO disclosed
US-20110212956-A1 Pyrazolopyrimidines for treating CNS disorders MERZ PHARMA GMBH & CO. KGAA (DE) 2011-09-01 US disclosed
US-7985753-B2 Substituted pyrazolo[1,5-A]pyrimidines as metabotropic glutamate receptor modulators MERZ PHARMA GMBH & CO. KGAA (DE) 2011-07-26 US disclosed
EP-2295439-A1 Substituted pyrazolopyrimidines, a process for their preparation and their use as medicine Merz Pharma GmbH & Co. KGaA (DE) 2011-03-16 EP disclosed
EP-2054416-B1 SUBSTITUTED PYRAZOLOPYRIMIDINES, A PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICINE MERZ PHARMA GMBH & CO KGAA (DE) 2011-01-05 EP disclosed
EP-1582513-B1 PROCESS FOR REDUCTIVE DEHALOGENATION DAIICHI SANKYO CO LTD (JP) 2010-11-17 EP disclosed
US-20100130768-A1 METHOD FOR HYDRODEHALOGENATION OF ORGANIC HALOGEN COMPOUND DAIICHI SANKYO COMPANY, LIMITED (JP) 2010-05-27 US disclosed
EP-2090576-A1 6-halo-pyrazolo[1,5-a]pyridines, a process for their preparation and their use as metabotropic glutamate receptor (mGluR) modulators Merz Pharma GmbH & Co.KGaA (DE) 2009-08-19 EP disclosed
WO-2009095253-A1 6-HALO-PYRAZOLO[1, 5-A]PYRIDINES, A PROCESS FOR THEIR PREPARATION AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR (MGLUR) MODULATORS MERZ PHARMA GMBH & CO. KGAA (DE) 2009-08-06 WO disclosed
EP-2054416-A1 SUBSTITUTED PYRAZOLOPYRIMIDINES, A PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICINE Merz Pharma GmbH & Co. KGaA (DE) 2009-05-06 EP disclosed
EP-1942087-A1 METHOD FOR DEHYDROHALOGENATION OF ORGANIC HALOGEN COMPOUND Daiichi Sankyo Company, Limited (JP) 2008-07-09 EP disclosed
US-20080039458-A1 Substituted pyrazolopyrimidines, a process for their preparation and their use as medicine MERZ PHARMA GMBH & CO. KGAA (DE) 2008-02-14 US disclosed
WO-2008015269-A1 SUBSTITUTED PYRAZOLOPYRIMIDINES, A PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICINE MERZ PHARMA GMBH & CO. KGAA (DE) 2008-02-07 WO disclosed
US-7199260-B2 Process for reductive dehalogenation DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-04-03 US disclosed
US-20060052626-A1 Process for reductive dehaloganation DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-03-09 US disclosed
EP-1582513-A1 PROCESS FOR REDUCTIVE DEHALOGENATION DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2005-10-05 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 (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-20110212956-A1 Pyrazolopyrimidines for treating CNS disorders GRM5, GRM3, GRM1 RAB9A 1347/4885HTT 1894/4885TSHR 609/4885
US-20080039458-A1 Substituted pyrazolopyrimidines, a process for their preparation and their use as medicine GRM5, GRM1, GRM3 RAB9A 1571/4885HTT 1911/4885TSHR 925/4885
US-20060052626-A1 Process for reductive dehaloganation IDUA, CYP2F1, DEK RAB9A 692/4885HTT 2605/4885TSHR 582/4885

“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.