SCHEMBL508531

SCHEMBL508531

Cc1n[nH]c(C)c1CC(=O)OC(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 17/20 0.43
AR P10275 1/20 0.41
PDE4D Q08499 1/20 0.41
MEN1 O00255 1/20 0.41
LMNA P02545 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL9608998 0.85 KDM4E (0.35) P2RX7ARPDE4DMEN1LMNA
SCHEMBL508150 0.83 HCAR2 (0.38) P2RX7ARPDE4DMEN1LMNA
SCHEMBL508982 0.81 AR (0.51) P2RX7ARPDE4DMEN1LMNA
SCHEMBL509207 0.79 PDE4D (0.56) P2RX7ARPDE4DMEN1LMNA
SCHEMBL16892246 0.78 P2RX7 (0.49) P2RX7ARPDE4DMEN1LMNA
SCHEMBL9609104 0.78 RAB9A (0.43) PDE4DMEN1LMNAKMT2A
SCHEMBL509202 0.77 MTNR1A (0.42) P2RX7LMNA
SCHEMBL508365 0.76 JAK2 (0.37) P2RX7
SCHEMBL9609113 0.76 BRD4 (0.46) P2RX7MEN1LMNAKMT2A
SCHEMBL27919837 0.75 AR (0.40) P2RX7ARPDE4DMEN1LMNA

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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3774775-B1 4-OXO-3,4-DIHYDROQUINAZOLINE COMPOUNDS AS INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION VIIV HEALTHCARE UK NO 5 LTD (GB) 2023-10-11 EP disclosed
US-11505543-B2 4-oxo-3,4-dihydroquinazoline compounds as inhibitors of human immunodeficiency virus replication VIIV Healthcare UK (No.5) Limited (GB) 2022-11-22 US disclosed
US-20220348567-A1 NOVEL OXADIAZOLE COMPOUNDS CONTAINING 5- MEMBERED HETEROAROMATIC RING FOR CONTROLLING OR PREVENTING PHYTOPATHOGENIC FUNGI PI INDUSTRIES LTD. (IN) 2022-11-03 US disclosed
EP-4017852-A1 NOVEL OXADIAZOLE COMPOUNDS CONTAINING 5- MEMBERED HETEROAROMATIC RING FOR CONTROLLING OR PREVENTING PHYTOPATHOGENIC FUNGI PI Industries Ltd. (IN) 2022-06-29 EP disclosed
CN-114341131-A Novel oxadiazole compounds comprising a 5-membered heteroaromatic ring for controlling or preventing phytopathogenic fungi PI工业有限公司 2022-04-12 CN disclosed
WO-2021033133-A1 NOVEL OXADIAZOLE COMPOUNDS CONTAINING 5- MEMBERED HETEROAROMATIC RING FOR CONTROLLING OR PREVENTING PHYTOPATHOGENIC FUNGI PI INDUSTRIES LTD. (IN) 2021-02-25 WO disclosed
EP-2528901-B9 PYRAZOLE COMPOUNDS AS CRTH2 ANTAGONISTS BOEHRINGER INGELHEIM INT (DE) 2017-01-25 EP disclosed
US-9206164-B2 Pyrazole compounds as CRTH2 antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-12-08 US disclosed
EP-2528901-B1 PYRAZOLE COMPOUNDS AS CRTH2 ANTAGONISTS BOEHRINGER INGELHEIM INT (DE) 2015-05-27 EP disclosed
EP-2688882-B1 PYRAZOLE COMPOUNDS AS CRTH2 ANTAGONISTS BOEHRINGER INGELHEIM INT (DE) 2015-05-13 EP disclosed
EP-2528901-A1 PYRAZOLE COMPOUNDS AS CRTH2 ANTAGONISTS Boehringer Ingelheim International GmbH (DE) 2012-12-05 EP disclosed
WO-2012130633-A1 PYRAZOLE COMPOUNDS AS CRTH2 ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-10-04 WO disclosed
WO-2012101043-A1 PYRAZOLE COMPOUNDS AS CRTH2 ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-08-02 WO disclosed
WO-2012069175-A1 NEW PYRAZOLE DERIVATIVES HAVING CRTH2 ANTAGONISTIC BEHAVIOUR ALMIRALL, S.A. (ES) 2012-05-31 WO disclosed
EP-2457900-A1 New pyrazole derivatives having CRTh2 antagonistic behaviour Almirall, S.A. (ES) 2012-05-30 EP disclosed
US-20120028938-A1 PYRAZOLE COMPOUNDS AS CRTH2 ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-02-02 US disclosed
WO-2011092140-A1 PYRAZOLE COMPOUNDS AS CRTH2 ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-08-04 WO disclosed
US-20110046137-A1 Pyrazole Derivatives as P2X7 Modulators GLAXO GROUP LIMITED 2011-02-24 US disclosed
EP-2155685-A1 PYRAZOLE DERIVATIVES AS P2X7 MODULATORS Glaxo Group Limited (GB) 2010-02-24 EP disclosed
WO-2008138876-A1 PYRAZOLE DERIVATIVES AS P2X7 MODULATORS GLAXO GROUP LIMITED (GB) 2008-11-20 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-20220348567-A1 NOVEL OXADIAZOLE COMPOUNDS CONTAINING 5- MEMBERED HETEROAROMATIC RING FOR CONTROLLING OR PREVENTING PHYTOPATHOGENIC FUNGI ERG28, CYP51A1, BROX P2RX7 1205/4885AR 2973/4885PDE4D 1697/4885
US-11505543-B2 4-oxo-3,4-dihydroquinazoline compounds as inhibitors of human immunodeficiency virus replication EIF2AK2, CCNI, IRF3 P2RX7 4192/4885AR 4453/4885PDE4D 1653/4885
US-20120028938-A1 PYRAZOLE COMPOUNDS AS CRTH2 ANTAGONISTS HRH2, HRH1, HRH3 P2RX7 40/4885AR 983/4885PDE4D 1549/4885
US-20110046137-A1 Pyrazole Derivatives as P2X7 Modulators P2RX3, P2RX7, P2RX1 P2RX7 2/4885AR 2489/4885PDE4D 1059/4885

“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.