SCHEMBL5520484

SCHEMBL5520484

CC(C)(C)OC(=O)c1ncccn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
GPR119 Q8TDV5 2/20 0.40
P2RX7 Q99572 1/20 0.39
GABRA1 P14867 3/20 0.39
GABRG2 P18507 3/20 0.39
GABRB3 P28472 3/20 0.39
GABRA5 P31644 3/20 0.39
GABRA3 P34903 3/20 0.39
GABRA2 P47869 3/20 0.39
GABRA6 Q16445 3/20 0.39
GABRA4 P48169 2/20 0.39
GABRP O00591 1/20 0.39
GABRD O14764 1/20 0.39
GABRB1 P18505 1/20 0.39
GABRB2 P47870 1/20 0.39
GABRE P78334 1/20 0.39
GABRG1 Q8N1C3 1/20 0.39
GABRG3 Q99928 1/20 0.39
GABRQ Q9UN88 1/20 0.39
POLB P06746 1/20 0.38

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
Hydrochloric Acid SCHEMBL27420852 0.98 ALDH1A1 (0.39) ALDH1A1GPR119P2RX7GABRA1GABRG2
SCHEMBL27956784 0.81 GPR119 (0.38) ALDH1A1GPR119GABRA1GABRG2GABRB3
SCHEMBL30587673 0.79 P2RX7 (0.41) ALDH1A1P2RX7HSD17B10KDM4EHPGD
SCHEMBL7159196 0.78 ALDH1A1 (0.37) ALDH1A1GABRA1GABRG2GABRB3GABRA5
SCHEMBL642470 0.78 ALDH1A1 (0.37) ALDH1A1GABRA1GABRG2GABRB3GABRA5
SCHEMBL165564 0.77 ATR (0.38) ALDH1A1GABRA1GABRG2GABRB3GABRA5
SCHEMBL30371874 0.77 ALOX15 (0.38) ALDH1A1GABRA1GABRG2GABRB3GABRA5
SCHEMBL25659580 0.77 ALOX15 (0.38) ALDH1A1GABRA1GABRG2GABRB3GABRA5
SCHEMBL3366139 0.77 HPGDS (0.40) ALDH1A1GABRA1GABRG2GABRB3GABRA5
SCHEMBL2652708 0.76 ALDH1A1 (0.55) ALDH1A1GABRA1GABRG2GABRB3GABRA5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117396474-A Plasma kallikrein inhibitors 武田药品工业株式会社 2024-01-12 CN disclosed
WO-2023134629-A1 NUCLEAR TRANSPORT REGULATOR AND USE THEREOF 上海海雁医药科技有限公司 2023-07-20 WO disclosed
CN-110062758-B Bicyclic dihydropyrimidine-carboxamide derivatives as RHO-kinase inhibitors 奇斯药制品公司 2023-01-17 CN disclosed
CN-107667107-B Ethynyl derivatives 豪夫迈·罗氏有限公司 2021-05-18 CN disclosed
CN-100335479-C Bicyclic inhibitors of glycogen synthase kinase 3 CHIRON CORP (US) 2007-09-05 CN disclosed
US-7205310-B2 Pyrimidine hydantoin analogues which inhibit leukocyte adhesion mediated by VLA-4 ELAN PHARMACEUTICALS, INC. (US) 2007-04-17 US disclosed
WO-2005111020-A2 PYRIMIDINE HYDANTOIN ANALOGUES WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 ELAN PHARMACEUTICALS, INC. (US) 2005-11-24 WO disclosed
US-20050261324-A1 Pyrimidine hydantoin analogues which inhibit leukocyte adhesion mediated by VLA-4 ELAN PHARMACEUTICALS, INC. 2005-11-24 US disclosed
CN-1434824-A Bicyclic inhibitors of glycogen synthase kinase 3 CHIRON CORP (US) 2003-08-06 CN disclosed
EP-1303503-A2 ANILINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2003-04-23 EP disclosed
WO-2002006189-A2 ANILINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2002-01-24 WO disclosed
CN-1100425-A Thiazolopyrimidine derivatives DAIICHI SEIYAKU CO (JP) 1995-03-22 CN 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 (1 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-20050261324-A1 Pyrimidine hydantoin analogues which inhibit leukocyte adhesion mediated by VLA-4 VCAM1, ICAM1, LPAR4 ALDH1A1 280/4885GPR119 414/4885P2RX7 1552/4885

“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.