SCHEMBL4075205

SCHEMBL4075205

O=C(NCC(=O)N1CCC(N2CCN(c3ccccc3)CC2)C1)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CXCR3 P49682 2/20 0.47
KMT2A Q03164 2/20 0.47
KDM4E B2RXH2 5/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
ALDH1A1 P00352 3/20 0.45
MAPT P10636 1/20 0.45
HIF1A Q16665 1/20 0.45
CCR2 P41597 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
OPRK1 P41145 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
OPRM1 P35372 1/20 0.42
OPRD1 P41143 1/20 0.42

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
SCHEMBL14112235 0.89 L3MBTL3 (0.46) CXCR3KDM4EALDH1A1CCR2L3MBTL1
SCHEMBL14112250 0.88 OPRK1 (0.41) CXCR3KMT2ACCR2SMN1; SMN2OPRK1
SCHEMBL14112396 0.87 CYP3A4 (0.50) CXCR3CYP2C19L3MBTL1SMN1; SMN2
SCHEMBL4882591 0.86 USP5 (0.54) MAPTCCR2SMN1; SMN2OPRK1
SCHEMBL4069592 0.86 USP5 (0.54) MAPTCCR2SMN1; SMN2OPRK1
SCHEMBL14112424 0.86 CXCR3 (0.46) CXCR3KMT2ASMN1; SMN2OPRK1OPRM1
SCHEMBL14112400 0.86 USP5 (0.49) CXCR3KMT2ACCR2L3MBTL1
SCHEMBL14112399 0.86 USP5 (0.49) CXCR3KMT2AALDH1A1L3MBTL1OPRK1
SCHEMBL14112477 0.86 CYP3A4 (0.52) CXCR3CYP2C19L3MBTL1SMN1; SMN2
SCHEMBL14112231 0.85 CXCR3 (0.45) CXCR3KMT2AALDH1A1OPRK1

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
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
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 CXCR3 42/4885KMT2A 4369/4885KDM4E 3630/4885

“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.