SCHEMBL901163

SCHEMBL901163

CCOC(=O)CCc1ccc(Cl)c(F)c1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 3/20 0.56
CYP4A11 Q02928 3/20 0.56
CYP4Z1 Q86W10 1/20 0.46
PDE3B Q13370 1/20 0.44
PDE3A Q14432 1/20 0.44
P2RY12 Q9H244 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
TSHR P16473 1/20 0.43
APP P05067 1/20 0.43
JAK2 O60674 1/20 0.41
JAK1 P23458 1/20 0.41
TYK2 P29597 1/20 0.41
JAK3 P52333 1/20 0.41
EPHX2 P34913 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
HRH3 Q9Y5N1 1/20 0.40
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 1/20 0.40

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
SCHEMBL901787 0.88 CYP4F2 (0.56) CYP4F2CYP4A11CYP4Z1PDE3BPDE3A
SCHEMBL6913578 0.86 CYP4F2 (0.61) CYP4F2CYP4A11CYP4Z1PDE3BPDE3A
SCHEMBL901639 0.86 CYP4F2 (0.61) CYP4F2CYP4A11CYP4Z1PDE3BPDE3A
SCHEMBL8257852 0.85 CYP4F2 (0.59) CYP4F2CYP4A11CYP4Z1PDE3BPDE3A
SCHEMBL2347025 0.84 CYP4F2 (0.58) CYP4F2CYP4A11CYP4Z1PDE3BPDE3A
SCHEMBL12723403 0.82 CYP4F2 (0.56) CYP4F2CYP4A11CYP4Z1PDE3BPDE3A
SCHEMBL11247614 0.82 CYP4F2 (0.56) CYP4F2CYP4A11CYP4Z1PDE3BPDE3A
SCHEMBL7520208 0.82 CYP4F2 (0.56) CYP4F2CYP4A11CYP4Z1PDE3BPDE3A
SCHEMBL12984627 0.82 CYP4F2 (0.56) CYP4F2CYP4A11CYP4Z1PDE3BPDE3A
SCHEMBL8364365 0.82 CYP4F2 (0.59) CYP4F2CYP4A11CYP4Z1PDE3BPDE3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2513084-B1 PYRROLIDINE DERIVATIVES AS NK-3 RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2015-07-22 EP 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
US-20130203728-A1 PYRROLIDINE COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2013-08-08 US 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
EP-2513084-A1 PYRROLIDINE DERIVATIVES AS NK - 3 RECEPTOR ANTAGONISTS F. Hoffmann-La Roche AG (CH) 2012-10-24 EP disclosed
WO-2012041817-A1 7-HYDROXY-PYRAZOLO[1,5-A] PYRIMIDINE COMPOUNDS AND THEIR USE AS CCR2 RECEPTOR ANTAGONISTS PROXIMAGEN LTD (GB) 2012-04-05 WO disclosed
WO-2011073160-A1 PYRROLIDINE DERIVATIVES AS NK - 3 RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2011-06-23 WO disclosed
US-20110152233-A1 PYRROLIDINE COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2011-06-23 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 (3 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-20130203728-A1 PYRROLIDINE COMPOUNDS SLC6A3, OPRL1, OPRK1 CYP4F2 3240/4885CYP4A11 3300/4885CYP4Z1 3600/4885
US-20110152233-A1 PYRROLIDINE COMPOUNDS SLC6A3, OPRL1, OPRK1 CYP4F2 3240/4885CYP4A11 3300/4885CYP4Z1 3600/4885
US-20130252951-A1 7-HYDROXY-PYRAZOLO[1,5-A] PYRIMIDINE COMPOUNDS AND THEIR USE AS CCR2 RECEPTOR ANTAGONISTS CCR2, CCR5, CCR1 CYP4F2 1184/4885CYP4A11 639/4885CYP4Z1 1997/4885

“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.