SCHEMBL4882005

SCHEMBL4882005

C[C@@]1(N2CCC(c3ccccc3)CC2)CCN(C(=O)CNC(=O)c2ccc(Cl)c(Cl)c2)C1

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CSNK1D P48730 1/20 0.62
CSNK1G2 P78368 1/20 0.62
USP5 P45974 7/20 0.51
THRA P10827 1/20 0.48
VDR P11473 1/20 0.48
CHRNA7 P36544 2/20 0.43
CCR2 P41597 3/20 0.42
OPRK1 P41145 3/20 0.42
OPRM1 P35372 1/20 0.42
OPRL1 P41146 1/20 0.42
DRD2 P14416 1/20 0.42
GPR139 Q6DWJ6 1/20 0.41
LMNA P02545 1/20 0.41
TP53 P04637 1/20 0.41
MAPT P10636 1/20 0.41

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
SCHEMBL4073487 1.00 CSNK1D (0.62) CSNK1DCSNK1G2USP5THRAVDR
SCHEMBL14208796 0.92 CSNK1D (0.55) CSNK1DCSNK1G2USP5THRAVDR
SCHEMBL4069592 0.78 USP5 (0.54) USP5THRAVDRCCR2OPRK1
SCHEMBL4882591 0.78 USP5 (0.54) USP5THRAVDRCCR2OPRK1
SCHEMBL4883051 0.76 CSNK1D (1.00) CSNK1DCSNK1G2CCR2LMNATP53
SCHEMBL4881149 0.76 CSNK1D (0.55) CSNK1DCSNK1G2OPRM1
SCHEMBL27764392 0.75 CSNK1D (0.52) CSNK1DCSNK1G2
SCHEMBL14112388 0.75 USP5 (0.52) USP5THRAVDRCCR2OPRK1
SCHEMBL14112389 0.75 USP5 (0.52) USP5THRAVDRCCR2OPRK1
SCHEMBL4076825 0.73 USP5 (0.51) USP5THRAVDRCCR2OPRK1

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 2 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-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 1657/4885USP5 4674/4885

“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.