SCHEMBL4499357

SCHEMBL4499357

CCCc1c(C(=O)O)cnn1-c1ccc(F)cc1

nearest known ligand 0.67

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NR4A3 Q92570 1/20 0.59
ALDH1A1 P00352 9/20 0.58
POLB P06746 1/20 0.58
MAPK1 P28482 4/20 0.57
MAPK14 Q16539 3/20 0.57
MAPT P10636 7/20 0.56
RAB9A P51151 1/20 0.56
GAA P10253 2/20 0.50
PTPN1 P18031 2/20 0.47
LMNA P02545 1/20 0.46

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
SCHEMBL773204 0.87 NR4A3 (0.78) NR4A3ALDH1A1POLBMAPK1MAPK14
SCHEMBL2079637 0.86 NR4A3 (0.59) NR4A3ALDH1A1POLBMAPK1MAPK14
SCHEMBL15779573 0.85 ALDH1A1 (0.55) ALDH1A1POLBMAPK1MAPK14MAPT
SCHEMBL14097123 0.80 MAPT (0.78) ALDH1A1POLBMAPK1MAPK14MAPT
SCHEMBL4485719 0.79 NR4A3 (0.54) NR4A3ALDH1A1POLBMAPK1MAPK14
SCHEMBL1074233 0.78 MAPK1 (0.58) NR4A3ALDH1A1POLBMAPK1MAPK14
SCHEMBL13593554 0.77 ALDH1A1 (0.63) NR4A3ALDH1A1POLBMAPK1MAPK14
SCHEMBL15779332 0.77 MAPT (0.49) ALDH1A1POLBMAPK1MAPK14MAPT
SCHEMBL27808 0.76 NR4A3 (0.61) NR4A3ALDH1A1POLBMAPK1MAPK14
SCHEMBL10813419 0.76 RAB9A (0.46) NR4A3ALDH1A1POLBMAPK1MAPK14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11759454-B2 Diazole lactams CHEMOCENTRYX, INC. (US) 2023-09-19 US disclosed
US-11759454-B2 Diazole lactams CHEMOCENTRYX, INC. (US) 2023-09-19 US disclosed
US-20210093613-A1 DIAZOLE LACTAMS CHEMOCENTRYX, INC. 2021-04-01 US disclosed
US-10744118-B2 Diazole lactams CHEMOCENTRYX, INC. (US) 2020-08-18 US disclosed
EP-2928474-B1 DIAZOLE LACTAMS CHEMOCENTRYX INC (US) 2018-11-14 EP disclosed
US-20160303084-A1 DIAZOLE LACTAMS CHEMOCENTRYX, INC. 2016-10-20 US disclosed
US-20160303084-A1 DIAZOLE LACTAMS CHEMOCENTRYX, INC. 2016-10-20 US disclosed
US-20160303084-A1 DIAZOLE LACTAMS CHEMOCENTRYX, INC. 2016-10-20 US disclosed
US-9328116-B2 Diazole lactams CHEMOCENTRYX, INC. (US) 2016-05-03 US disclosed
US-9328116-B2 Diazole lactams CHEMOCENTRYX, INC. (US) 2016-05-03 US disclosed
US-20140171420-A1 DIAZOLE LACTAMS CHEMOCENTRYX, INC. (US) 2014-06-19 US disclosed
US-20140171420-A1 DIAZOLE LACTAMS CHEMOCENTRYX, INC. (US) 2014-06-19 US disclosed
US-20140171420-A1 DIAZOLE LACTAMS CHEMOCENTRYX, INC. (US) 2014-06-19 US disclosed
WO-2014089495-A1 DIAZOLE LACTAMS CHEMOCENTRYX, INC. (US) 2014-06-12 WO disclosed
WO-2014089495-A1 DIAZOLE LACTAMS CHEMOCENTRYX, INC. (US) 2014-06-12 WO disclosed
EP-1917262-B1 PIPERIDINE AND PIPERAZINE DERIVATIVES AS P2X3 ANTAGONISTS HOFFMANN LA ROCHE (CH) 2011-12-14 EP disclosed
US-7491821-B2 2-(4-fluorophenyl)-4-propyl-oxazole-5-carboxylic acid {2-[4-(6-aminopyridin-2-yl)-piperazin-1-yl]-1-methyl-ethyl}amide; purinergic receptor antagonists, analgesics; urogenital, gastointestinal and respiratory system disorders ROCHE PALO ALTO LLC (US) 2009-02-17 US disclosed
EP-1917262-A1 PIPERIDINE AND PIPERAZINE DERIVATIVES AS P2X3 ANTAGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2008-05-07 EP disclosed
WO-2007020194-A1 PIPERIDINE AND PIPERAZINE DERIVATIVES AS P2X3 ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2007-02-22 WO disclosed
US-20070037974-A1 Inhibitors of P2X3 ROCHE PALO ALTO LLC 2007-02-15 US 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 (6 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-20160303084-A1 DIAZOLE LACTAMS CCR1, CCRL2, CCR4 NR4A3 458/4885ALDH1A1 923/4885POLB 3383/4885
US-20070037974-A1 Inhibitors of P2X3 P2RX3, P2RX4, P2RX5 NR4A3 37/4885ALDH1A1 2159/4885POLB 2936/4885
US-20210093613-A1 DIAZOLE LACTAMS CCR1, CCRL2, CCR4 NR4A3 458/4885ALDH1A1 923/4885POLB 3383/4885
US-20140171420-A1 DIAZOLE LACTAMS CCR1, CCRL2, CCR4 NR4A3 458/4885ALDH1A1 923/4885POLB 3383/4885
US-10744118-B2 Diazole lactams CCR1, CCRL2, CCR4 NR4A3 458/4885ALDH1A1 923/4885POLB 3383/4885
US-11759454-B2 Diazole lactams CCR1, CCRL2, CCR4 NR4A3 458/4885ALDH1A1 923/4885POLB 3383/4885

“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.