SCHEMBL3633862

SCHEMBL3633862

Cc1ccccc1C(C)(C)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.42
GABRB2 P47870 1/20 0.42
MAPT P10636 1/20 0.42
KMT2A Q03164 1/20 0.42
HPGD P15428 5/20 0.41
TSHR P16473 2/20 0.38
ACHE P22303 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
MYC P01106 1/20 0.37
POLB P06746 1/20 0.37
ALDH1A1 P00352 4/20 0.37
TDP1 Q9NUW8 2/20 0.37
CASR P41180 1/20 0.37
KDM4E B2RXH2 2/20 0.36
HSD17B10 Q99714 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
HIF1A Q16665 1/20 0.36
GAA P10253 1/20 0.36

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
Ammonia Solution, Strong SCHEMBL28714249 0.98 GABRA1 (0.41) GABRA1GABRB2MAPTKMT2AHPGD
SCHEMBL20249854 0.85 GABRA1 (0.41) GABRA1GABRB2MAPTKMT2AHPGD
SCHEMBL6964241 0.83 GABRA1 (0.42) GABRA1GABRB2MAPTKMT2AHPGD
SCHEMBL18754039 0.83 GABRA1 (0.42) GABRA1GABRB2MAPTKMT2AHPGD
Ammonia Solution, Strong SCHEMBL28842318 0.82 TRPA1 (0.43) GABRA1GABRB2MAPTKMT2AHPGD
Phosphine SCHEMBL29240846 0.82 TRPA1 (0.43) GABRA1GABRB2MAPTKMT2AHPGD
SCHEMBL1826833 0.81 GABRA1 (0.41) GABRA1GABRB2MAPTKMT2AHPGD
SCHEMBL25845119 0.80 GABRA1 (0.41) GABRA1GABRB2KMT2AHPGDMYC
SCHEMBL31503044 0.80 TSHR (0.39) GABRA1GABRB2HPGDTSHRACHE
SCHEMBL20563882 0.80 MYC (0.42) GABRA1GABRB2HPGDTSHRACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106103439-B 2,7- diaza spiro [3.5] nonane compound 瑞敏德股份有限公司 2019-03-08 CN disclosed
CN-109219602-A Modulators of cystic fibrosis transmembrane conductance regulator proteins 艾伯维公司 2019-01-15 CN disclosed
US-10118916-B2 Modulators of cystic fibrosis transmembrane conductance regulator protein ABBVIE S.Á.R.L. (LU) 2018-11-06 US disclosed
EP-3119782-B1 2,7-DIAZASPIRO[3.5]NONANE COMPOUNDS REMYND NV (BE) 2018-01-31 EP disclosed
WO-2017187321-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR PROTEIN AbbVie S.à.r.l. (LU) 2017-11-02 WO disclosed
US-20170305891-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR PROTEIN ABBVIE S.Á.R.L. (LU) 2017-10-26 US disclosed
US-9750745-B2 2,7-diazaspiro[3.5]nonane compounds REMYND NV (BE) 2017-09-05 US disclosed
US-20170157137-A1 2,7-DIAZASPIRO[3.5]NONANE COMPOUNDS REMYND NV (BE) 2017-06-08 US disclosed
EP-1368295-B1 PROCESS FOR THE MANUFACTURE OF PHENYLACETIC ACID DERIVATIVES HOFFMANN LA ROCHE (CH) 2017-04-12 EP disclosed
US-9617264-B2 2,7-diazaspiro[3.5]nonane compounds REMYND NV (BE) 2017-04-11 US disclosed
EP-3119782-A1 2,7-DIAZASPIRO[3.5]NONANE COMPOUNDS reMynd NV (BE) 2017-01-25 EP disclosed
US-20170015665-A1 2,7-DIAZASPIRO[3.5]NONANE COMPOUNDS REMYND NV (BE) 2017-01-19 US disclosed
CN-106103439-A 2,7 diaza spiros [3.5] nonane compound 瑞敏德股份有限公司 2016-11-09 CN disclosed
WO-2015140132-A1 2,7-DIAZASPIRO[3.5]NONANE COMPOUNDS REMYND NV (BE) 2015-09-24 WO disclosed
EP-2145042-A1 TEXTILE SCENTING Henkel AG & Co. KGaA (DE) 2010-01-20 EP disclosed
WO-2008135306-A1 TEXTILE SCENTING HENKEL AG & CO. KGAA (DE) 2008-11-13 WO disclosed
WO-2007007347-A1 INDUSTRIAL PROCESS OF FEXOFENADINE HYDROCHLORIDE WITH CONTROLLED SIDE PRODUCTS WOCKHARDT LIMITED (IN) 2007-01-18 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 (4 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-20170157137-A1 2,7-DIAZASPIRO[3.5]NONANE COMPOUNDS PSEN1, MAPT, PSEN2 GABRA1 2430/4885GABRB2 2540/4885MAPT 2/4885
US-20170015665-A1 2,7-DIAZASPIRO[3.5]NONANE COMPOUNDS PSEN1, MAPT, PSEN2 GABRA1 2430/4885GABRB2 2540/4885MAPT 2/4885
US-20170305891-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR PROTEIN CFTR, CHRM2, CHRM1 GABRA1 2211/4885GABRB2 3073/4885MAPT 4880/4885
US-10118916-B2 Modulators of cystic fibrosis transmembrane conductance regulator protein CFTR, CHRM2, CHRM1 GABRA1 2211/4885GABRB2 3073/4885MAPT 4880/4885

“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.