SCHEMBL4883051

SCHEMBL4883051

CC1(N2CCC(c3ccccc3)CC2)CCN(C(=O)CNc2ncnc3cc(Cl)c(Cl)cc23)C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CSNK1D P48730 1/20 1.00
CSNK1G2 P78368 1/20 1.00
CCRL2 O00421 2/20 0.40
CCR2 P41597 2/20 0.40
KCNH2 Q12809 2/20 0.40
CCR5 P51681 6/20 0.36
EGLN1 Q9GZT9 2/20 0.36
PRCP P42785 3/20 0.35
EPHA2 P29317 1/20 0.35
KDR P35968 1/20 0.35
EPHB4 P54760 1/20 0.35
SCD O00767 2/20 0.34
EGFR P00533 1/20 0.34
HSD11B1 P28845 1/20 0.34
LMNA P02545 1/20 0.34
TP53 P04637 1/20 0.34
MAPT P10636 1/20 0.34

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
SCHEMBL14112087 0.80 CSNK1D (0.67) CSNK1DCSNK1G2CCRL2CCR2KCNH2
SCHEMBL14112311 0.78 CSNK1D (0.64) CSNK1DCSNK1G2CCRL2CCR2KCNH2
SCHEMBL4073090 0.77 CSNK1D (0.63) CSNK1DCSNK1G2PRCPEGFR
SCHEMBL4882005 0.76 CSNK1D (0.62) CSNK1DCSNK1G2CCR2LMNATP53
SCHEMBL14112310 0.75 CSNK1D (0.60) CSNK1DCSNK1G2CCRL2CCR2KCNH2
SCHEMBL14112317 0.74 CSNK1D (0.59) CSNK1DCSNK1G2CCRL2CCR2KCNH2
SCHEMBL4881962 0.74 CSNK1D (0.58) CSNK1DCSNK1G2EPHA2KDREPHB4
SCHEMBL14112306 0.74 CSNK1D (0.58) CSNK1DCSNK1G2CCRL2CCR2KCNH2
SCHEMBL14112307 0.74 CSNK1D (0.58) CSNK1DCSNK1G2CCRL2CCR2KCNH2
SCHEMBL4881149 0.72 CSNK1D (0.55) CSNK1DCSNK1G2KCNH2CCR5HSD11B1

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
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
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

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 CSNK1D 1339/4885CSNK1G2 1657/4885CCRL2 27/4885

“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.