SCHEMBL4071190

SCHEMBL4071190

CC(C)(C)OC(=O)N1CCC(C)(N2CCC(c3ccccc3)CC2)C1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.48
CSNK1D P48730 1/20 0.47
CSNK1G2 P78368 1/20 0.47
RORC P51449 5/20 0.46
GPR119 Q8TDV5 1/20 0.46
CYP11B2 P19099 1/20 0.44
KDM4E B2RXH2 1/20 0.44
PKM P14618 1/20 0.44
USP30 Q70CQ3 1/20 0.44
SCD5 Q86SK9 1/20 0.43
GAA P10253 1/20 0.42
THRB P10828 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TP53 P04637 2/20 0.42
LMNA P02545 1/20 0.42
CCR5 P51681 1/20 0.42
NPC1L1 Q9UHC9 1/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
ATM Q13315 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
SCHEMBL27764392 0.84 CSNK1D (0.52) CSNK1DCSNK1G2CCR5
SCHEMBL4071044 0.83 NAMPT (0.48) NAMPTRORCGPR119CYP11B2KDM4E
SCHEMBL3843148 0.81 NAMPT (0.66) NAMPTGPR119KDM4EPKMGAA
SCHEMBL648562 0.80 CHRM2 (0.40) GPR119CYP11B2KDM4EUSP30THRB
SCHEMBL24583344 0.79 HPGD (0.39) RORCGPR119CYP11B2USP30SMN1; SMN2
SCHEMBL3410969 0.79 HPGD (0.39) GPR119CYP11B2KDM4ETHRBSMN1; SMN2
SCHEMBL4881149 0.79 CSNK1D (0.55) CSNK1DCSNK1G2CCR5
Acetic Acid SCHEMBL29880486 0.79 NAMPT (0.63) NAMPTGPR119KDM4EPKMGAA
SCHEMBL28916598 0.79 SCD5 (0.53) NAMPTRORCGPR119CYP11B2USP30
SCHEMBL3412500 0.78 HDAC2 (0.47) CYP11B2KDM4EPKMUSP30CCR5

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 4 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
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
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 NAMPT 2093/4885CSNK1D 1339/4885CSNK1G2 1657/4885

“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.