SCHEMBL4881149

SCHEMBL4881149

CC1(N2CCC(c3ccccc3)CC2)CCN(C(=O)CN)C1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CSNK1D P48730 1/20 0.55
CSNK1G2 P78368 1/20 0.55
CCR5 P51681 8/20 0.43
OPRM1 P35372 1/20 0.42
ALDH1A1 P00352 1/20 0.41
POLB P06746 1/20 0.41
NR1H2 P55055 1/20 0.41
NR1H3 Q13133 1/20 0.41
HSD11B1 P28845 1/20 0.41
KCNH2 Q12809 2/20 0.41
HRH3 Q9Y5N1 1/20 0.41
SLC18A3 Q16572 2/20 0.40
ADAMTS5 Q9UNA0 1/20 0.40

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
SCHEMBL27764392 0.86 CSNK1D (0.52) CSNK1DCSNK1G2CCR5NR1H2NR1H3
SCHEMBL4071190 0.79 NAMPT (0.48) CSNK1DCSNK1G2CCR5
SCHEMBL4882005 0.76 CSNK1D (0.62) CSNK1DCSNK1G2OPRM1
SCHEMBL14208796 0.71 CSNK1D (0.55) CSNK1DCSNK1G2OPRM1KCNH2
SCHEMBL4073323 0.71 CSNK1D (0.39) CSNK1DCSNK1G2CCR5OPRM1NR1H2
SCHEMBL4256933 0.70 ALDH1A1 (0.54) ALDH1A1POLBSLC18A3
SCHEMBL4773396 0.69 SCD5 (0.46) ALDH1A1POLBKCNH2HRH3
SCHEMBL27764390 0.68 MEN1 (0.44) OPRM1ALDH1A1POLBHSD11B1SLC18A3
SCHEMBL29338182 0.68 OPRM1 (0.52) OPRM1ALDH1A1HSD11B1KCNH2ADAMTS5
SCHEMBL15200613 0.68 HSD11B1 (0.49) HSD11B1KCNH2HRH3SLC18A3

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 1657/4885CCR5 6/4885

“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.