SCHEMBL508354

SCHEMBL508354

CCc1n[nH]c(CC)c1CC(=O)OC(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 2/20 0.43
TTR P02766 1/20 0.38
HCAR2 Q8TDS4 2/20 0.35
HDAC1 Q13547 1/20 0.32
MAPT P10636 1/20 0.31
LMNA P02545 2/20 0.31
ALDH1A1 P00352 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
KCNH2 Q12809 1/20 0.31
MTNR1A P48039 3/20 0.30
MTNR1B P49286 3/20 0.30
KDM4E B2RXH2 1/20 0.30

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
SCHEMBL508150 0.85 HCAR2 (0.38) P2RX7TTRHCAR2LMNAALDH1A1
SCHEMBL509426 0.81 ALDH1A1 (0.47) P2RX7TTRHCAR2LMNAALDH1A1
SCHEMBL3402262 0.77 P2RX7 (0.48) P2RX7TTRHCAR2HDAC1LMNA
SCHEMBL27814650 0.71 TTR (0.46) P2RX7TTRHCAR2HDAC1LMNA
SCHEMBL7118321 0.70 P2RX7 (0.39) P2RX7TTRHCAR2HDAC1KCNH2
SCHEMBL508531 0.70 P2RX7 (0.43) P2RX7LMNA
SCHEMBL9608998 0.69 KDM4E (0.35) P2RX7LMNAALDH1A1MTNR1AMTNR1B
SCHEMBL508945 0.68 P2RX7 (0.31) P2RX7LMNAMTNR1AMTNR1BKDM4E
SCHEMBL14556069 0.67 KDM4E (0.51) LMNAALDH1A1SMN1; SMN2KDM4E
SCHEMBL1779055 0.66 TTR (0.41) P2RX7TTRHCAR2HDAC1KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-8791272-B2 Pyrazole compounds as CRTH2 antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-07-29 US disclosed
US-20140113917-A1 PYRAZOLE COMPOUNDS AS CRTH2 ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-04-24 US disclosed
EP-2688882-A1 PYRAZOLE COMPOUNDS AS CRTH2 ANTAGONISTS Boehringer Ingelheim International GmbH (DE) 2014-01-29 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
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
WO-2009074519-A1 COMBINATIONS OF PYRAZOLYL OR ISOXAZOLYL P2X7 MODULATORS WITH FURTHER THERAPEUTIC AGENTS GLAXO GROUP LIMITED (GB) 2009-06-18 WO disclosed
EP-2040700-A1 N- (PHENYLMETHYL) -2- (1H-PYRAZ0L-4-YL) ACETAMIDE DERIVATIVES AS P2X7 ANTAGONISTS FOR THE TREATMENT OF PAIN, INFLAMMATION AND NEURODEGENERATION Glaxo Group Limited (GB) 2009-04-01 EP disclosed
WO-2007141267-A1 N- (PHENYLMETHYL) -2- (1H-PYRAZ0L-4-YL) ACETAMIDE DERIVATIVES AS P2X7 ANTAGONISTS FOR THE TREATMENT OF PAIN, INFLAMMATION AND NEURODEGENERATION GLAXO GROUP LIMITED (GB) 2007-12-13 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 (2 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-20140113917-A1 PYRAZOLE COMPOUNDS AS CRTH2 ANTAGONISTS HRH2, HRH1, HRH4 P2RX7 92/4885TTR 4118/4885HCAR2 383/4885
US-20120028938-A1 PYRAZOLE COMPOUNDS AS CRTH2 ANTAGONISTS HRH2, HRH1, HRH3 P2RX7 40/4885TTR 3955/4885HCAR2 406/4885

“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.