SCHEMBL4072785

SCHEMBL4072785

COC(=O)CNc1ccc(Cl)c(Cl)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.57
POLB P06746 2/20 0.52
CYP3A4 P08684 2/20 0.51
EPHX1 P07099 1/20 0.50
EPHX2 P34913 1/20 0.50
GAA P10253 3/20 0.48
MEN1 O00255 5/20 0.48
KMT2A Q03164 5/20 0.48
NPC1 O15118 2/20 0.48
ALDH1A1 P00352 5/20 0.48
APEX1 P27695 1/20 0.47
MAPT P10636 3/20 0.47
AGTR1 P30556 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
TSHR P16473 1/20 0.46
LMNA P02545 1/20 0.46
MAPK1 P28482 1/20 0.46
CA2 P00918 1/20 0.46
CA4 P22748 1/20 0.46
CA5A P35218 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
SCHEMBL2945182 0.85 POLB (0.54) L3MBTL1POLBCYP3A4EPHX1EPHX2
SCHEMBL28102406 0.85 KDM4E (0.60) CYP3A4MEN1KMT2ANPC1ALDH1A1
SCHEMBL14625973 0.83 CYP3A4 (0.49) L3MBTL1POLBCYP3A4EPHX1EPHX2
SCHEMBL11006722 0.82 CYP3A4 (0.54) L3MBTL1POLBCYP3A4EPHX1EPHX2
SCHEMBL4417208 0.82 L3MBTL1 (0.49) L3MBTL1POLBCYP3A4EPHX1EPHX2
SCHEMBL28468798 0.81 CA2 (0.49) L3MBTL1CYP3A4EPHX1EPHX2GAA
SCHEMBL733998 0.80 EPHX1 (0.55) CYP3A4EPHX1EPHX2GAAMEN1
SCHEMBL5121422 0.80 ALDH1A1 (0.61) L3MBTL1POLBGAAMEN1KMT2A
SCHEMBL11466132 0.80 L3MBTL1 (0.45) L3MBTL1POLBCYP3A4EPHX1EPHX2
SCHEMBL28877123 0.79 CYP3A4 (0.60) POLBCYP3A4EPHX1EPHX2GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8754107-B2 Aminopyrrolidines as chemokine receptor antagonists ABBVIE INC. (US) 2014-06-17 US disclosed
US-8754107-B2 Aminopyrrolidines as chemokine receptor antagonists ABBVIE INC. (US) 2014-06-17 US disclosed
US-8754107-B2 Aminopyrrolidines as chemokine receptor antagonists ABBVIE INC. (US) 2014-06-17 US disclosed
EP-2099454-A2 AMINOPYRROLIDINES AS CHEMOKINE RECEPTOR ANTAGONISTS Abbott Laboratories (US) 2009-09-16 EP disclosed
US-20080176883-A1 Antiinflammtory, antiproliferative, anticancer agents; (3-Hydroxy-pyrrolidin-1-yl)-(3-trifluoromethyl-7,8-dihydro-5H-[1,6]naphthyridin-6-yl)-methanone ABBVIE INC. 2008-07-24 US disclosed
US-20080176883-A1 Antiinflammtory, antiproliferative, anticancer agents; (3-Hydroxy-pyrrolidin-1-yl)-(3-trifluoromethyl-7,8-dihydro-5H-[1,6]naphthyridin-6-yl)-methanone ABBVIE INC. 2008-07-24 US disclosed
US-20080176883-A1 Antiinflammtory, antiproliferative, anticancer agents; (3-Hydroxy-pyrrolidin-1-yl)-(3-trifluoromethyl-7,8-dihydro-5H-[1,6]naphthyridin-6-yl)-methanone ABBVIE INC. 2008-07-24 US disclosed
WO-2008060621-A2 AMINOPYRROLIDINES AS CHEMOKINE RECEPTOR ANTAGONISTS ABBOTT LABORATORIES (US) 2008-05-22 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 (1 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-20080176883-A1 Antiinflammtory, antiproliferative, anticancer agents; (3-Hydroxy-pyrrolidin-1-yl)-(3-trifluoromethyl-7,8-dihydro-5H-[1,6]naphthyridin-6-yl)-methanone MIF, CCL5, CCR2 L3MBTL1 4683/4885POLB 1231/4885CYP3A4 916/4885

“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.