SCHEMBL901672

SCHEMBL901672

COC(=O)CCc1cccc(F)c1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.53
SIRT2 Q8IXJ6 1/20 0.51
FFAR1 O14842 1/20 0.50
CNR2 P34972 1/20 0.48
AKR1C3 P42330 2/20 0.46
MRGPRX4 Q96LA9 1/20 0.46
NR3C2 P08235 1/20 0.46
AKR1C2 P52895 1/20 0.46
MAOB P27338 1/20 0.46
MAPT P10636 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45

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
Phenyl Propionic Acid SCHEMBL28544542 0.90 FFAR1 (0.59) TAAR1SIRT2FFAR1CNR2AKR1C3
SCHEMBL7080205 0.89 TAAR1 (0.49) TAAR1FFAR1MRGPRX4NR3C2MAOB
SCHEMBL29263663 0.88 HDAC6 (0.52) TAAR1
SCHEMBL901475 0.84 CYP4F2 (0.55) TAAR1AKR1C3AKR1C2MAOBMAPT
SCHEMBL14432345 0.83 SIRT2 (0.51) SIRT2CNR2MAPT
SCHEMBL31103174 0.83 CNR2 (0.57) SIRT2FFAR1CNR2MRGPRX4MAPT
SCHEMBL19438770 0.83 TAAR1 (0.47) TAAR1
SCHEMBL30692683 0.83 SLC7A5 (0.55) TAAR1MRGPRX4MAOBMAPT
SCHEMBL74878 0.83 SLC7A5 (0.55) TAAR1MRGPRX4MAOBMAPT
SCHEMBL1625096 0.81 TAAR1 (0.47) TAAR1SIRT2FFAR1MRGPRX4NR3C2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113563327-B Novel mesoionic compound and synthesis and application thereof 东莞市东阳光农药研发有限公司 2024-11-29 CN disclosed
CN-115197036-B Method for performing anti-mahalanobis hydrogen carboxylation reaction on photocatalytic olefin compound and carbon dioxide 中国科学院理化技术研究所 2024-01-23 CN disclosed
CN-115197036-A Method for carrying out anti-Ma hydrocarboxylation reaction on olefin compound and carbon dioxide by photocatalysis 中国科学院理化技术研究所 2022-10-18 CN disclosed
WO-2020163554-A1 IL-17A MODULATORS AND USES THEREOF DICE ALPHA, INC. (US) 2020-08-13 WO disclosed
US-20130252951-A1 7-HYDROXY-PYRAZOLO[1,5-A] PYRIMIDINE COMPOUNDS AND THEIR USE AS CCR2 RECEPTOR ANTAGONISTS PROXIMAGEN LIMITED (GB) 2013-09-26 US disclosed
US-20130252951-A1 7-HYDROXY-PYRAZOLO[1,5-A] PYRIMIDINE COMPOUNDS AND THEIR USE AS CCR2 RECEPTOR ANTAGONISTS PROXIMAGEN LIMITED (GB) 2013-09-26 US disclosed
US-20130252951-A1 7-HYDROXY-PYRAZOLO[1,5-A] PYRIMIDINE COMPOUNDS AND THEIR USE AS CCR2 RECEPTOR ANTAGONISTS PROXIMAGEN LIMITED (GB) 2013-09-26 US disclosed
CN-103328479-A 7-hydroxy-pyrazolo [1,5-a ] pyrimidine compounds and their use as CCR2 receptor antagonists PROXIMAGEN LTD 2013-09-25 CN disclosed
EP-2621928-A1 7-HYDROXY-PYRAZOLO[1,5-A]PYRIMIDINE COMPOUNDS AND THEIR USE AS CCR2 RECEPTOR ANTAGONISTS Proximagen Limited (GB) 2013-08-07 EP disclosed
US-8492378-B2 GSK-3β inhibitor TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-07-23 US disclosed
CN-1324025-C Tropane derivatives as modulators of CCR5 PFIZER (US) 2007-07-04 CN disclosed
CN-1880319-A Tropane derivatives as CCR5 modulators AGOURON PHARMA (US) 2006-12-20 CN disclosed
CN-1646526-A Tropane derivatives as modulators of CCR5 PFIZER (US) 2005-07-27 CN disclosed
US-20040063580-A1 Bicyclic triazolone derivatives and a herbicides containing the same SUMITOMO CHEMICAL TAKEDA AGRO COMPANY, LIMITED (JP) 2004-04-01 US disclosed
EP-1333031-A1 BICYCLIC TRIAZOLONE DERIVATIVES AND HERBICIDES CONTAINING THE SAME Sumitomo Chemical Takeda Agro Company, Limited (JP) 2003-08-06 EP disclosed
US-4138577-A 11-Deoxy-cis-4,5-didehydro-ω-aryl-PGF compounds THE UPJOHN COMPANY (US) 1979-02-06 US disclosed
US-4138573-A 11-Deoxy-2,2-difluoro-ω-aryl-PGE compounds THE UPJOHN COMPANY (US) 1979-02-06 US disclosed
US-4138576-A 11-Deoxy-2,2-difluoro-ω-aryl-PGF compounds THE UPJOHN COMPANY (US) 1979-02-06 US disclosed
US-4138575-A 11-Deoxy-16-phenoxy-PGF compounds THE UPJOHN COMPANY (US) 1979-02-06 US disclosed
US-4126754-A 11-Deoxy-cis-4,5-didehydro-ω-aryl-PGE compounds THE UPJOHN COMPANY (US) 1978-11-21 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 (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-20130252951-A1 7-HYDROXY-PYRAZOLO[1,5-A] PYRIMIDINE COMPOUNDS AND THEIR USE AS CCR2 RECEPTOR ANTAGONISTS CCR2, CCR5, CCR1 TAAR1 204/4885SIRT2 2432/4885FFAR1 237/4885
US-20040063580-A1 Bicyclic triazolone derivatives and a herbicides containing the same WEE1, WEE2, BAK1 TAAR1 624/4885SIRT2 1577/4885FFAR1 1008/4885

“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.