SCHEMBL5207754

SCHEMBL5207754

O=C(O)COc1ncc(-c2ccccc2)cn1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.52
PPARG P37231 1/20 0.47
PPARD Q03181 1/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.45
NPC1 O15118 1/20 0.45
NFKB1 P19838 1/20 0.45
RAB9A P51151 1/20 0.45
NFKB2 Q00653 1/20 0.45
RELA Q04206 1/20 0.45
POLB P06746 1/20 0.44
GLA P06280 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
KDM4E B2RXH2 1/20 0.44
GAA P10253 1/20 0.44
EGLN1 Q9GZT9 1/20 0.44
PTGDR2 Q9Y5Y4 5/20 0.44
PTPN7 P35236 2/20 0.43
FFAR1 O14842 1/20 0.43

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
SCHEMBL3177344 0.80 FFAR1 (0.46) ALOX15PPARGMEN1KMT2AL3MBTL1
SCHEMBL1280673 0.76 ALOX15 (0.52) ALOX15MEN1KMT2ASMN1; SMN2POLB
SCHEMBL422442 0.75 ALOX15 (0.76) ALOX15PPARGPPARDMEN1KMT2A
SCHEMBL6029086 0.75 PTGDR2 (0.44) ALOX15MEN1KMT2APOLBL3MBTL1
SCHEMBL24272510 0.72 TAAR1 (0.50) ALOX15MEN1KMT2ASMN1; SMN2NPC1
SCHEMBL420401 0.70 ALOX15 (0.68) ALOX15PPARGPPARDPTPN7FFAR1
SCHEMBL24747463 0.70 ALOX15 (0.43) ALOX15PPARGMEN1KMT2ASMN1; SMN2
SCHEMBL6027578 0.70 NPC1 (0.49) MEN1KMT2ASMN1; SMN2NPC1RAB9A
Biphenyl SCHEMBL14806647 0.70 CYP2C19 (0.55) ALOX15PPARGPPARDSMN1; SMN2NPC1
SCHEMBL2225522 0.70 SMN1; SMN2 (0.54) SMN1; SMN2NPC1NFKB1RAB9ANFKB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1358181-B1 SUBSTITUTED PYRROLIDINES AS CCR-3 RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2007-09-26 EP disclosed
EP-1358181-A1 SUBSTITUTED PYRROLIDINES AS CCR-3 RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2003-11-05 EP disclosed
US-20030199532-A1 2,4-substituted pyrrolidine derivatives-CCR-3 receptor antagonists KERTESZ DENIS JOHN (US) 2003-10-23 US disclosed
US-6552028-B2 Inhibiting the binding of eotaxin to chemokine-3 (ccr-3) receptor; antiasthmatics SYNTEX (U.S.A.) LLC 2003-04-22 US disclosed
US-20020198255-A1 2,4-substituted pyrrolidine derivatives-CCR-3 receptor antagonists SYNTEX (U.S.A.) LLC 2002-12-26 US disclosed
WO-2002050064-A1 SUBSTITUTED PYRROLIDINES AS CCR-3 RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2002-06-27 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-20030199532-A1 2,4-substituted pyrrolidine derivatives-CCR-3 receptor antagonists CCR3, CCR1, CCR4 ALOX15 4206/4885PPARG 720/4885PPARD 216/4885
US-20020198255-A1 2,4-substituted pyrrolidine derivatives-CCR-3 receptor antagonists CCR3, CCR1, CCR4 ALOX15 4206/4885PPARG 720/4885PPARD 216/4885

“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.