SCHEMBL13406329

SCHEMBL13406329

CC(C)(C)OC(=O)N1CCC(c2noc(=O)[nH]2)CC1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 2/20 0.52
▸ KDM4E B2RXH2 2/20 0.52
▸ MAPT P10636 1/20 0.52
▸ HPGDS O60760 2/20 0.48
▸ RECQL P46063 1/20 0.44
▸ GPR119 Q8TDV5 3/20 0.43
▸ HPGD P15428 2/20 0.43
▸ DDB1 Q16531 1/20 0.43
▸ CRBN Q96SW2 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ USP2 O75604 1/20 0.42
▸ GAA P10253 1/20 0.41
▸ HCAR1 Q9BXC0 1/20 0.41
▸ EPHX1 P07099 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ NPSR1 Q6W5P4 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
SCHEMBL2394684 0.93 HPGDS (0.50) THRBKDM4EMAPTHPGDSRECQL
SCHEMBL2280429 0.93 HPGDS (0.50) THRBKDM4EMAPTHPGDSRECQL
SCHEMBL13406347 0.77 KDM4E (0.52) THRBKDM4EMAPTHPGDSRECQL
SCHEMBL2899508 0.76 THRB (0.51) THRBKDM4EMAPTHPGDSRECQL
SCHEMBL947009 0.75 KDM4E (0.53) THRBKDM4EMAPTHPGDSRECQL
SCHEMBL1662358 0.75 KDM4E (0.50) THRBKDM4EMAPTHPGDSGPR119
SCHEMBL408380 0.74 MAPT (0.52) THRBKDM4EMAPTRECQLGPR119
SCHEMBL1662534 0.74 KDM4E (0.49) THRBKDM4EMAPTHPGDSRECQL
SCHEMBL17818065 0.74 SCD5 (0.36) HPGDSSMN1; SMN2ALDH1A1
SCHEMBL459905 0.74 MAPT (0.51) THRBKDM4EMAPTHPGDSRECQL

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-7700591-B2 Benzoxazinyl-amidocyclopentyl-heterocyclic modulators of chemokine receptors MERCK & CO., INC. (US) 2010-04-20 — — US disclosed
US-7700591-B2 Benzoxazinyl-amidocyclopentyl-heterocyclic modulators of chemokine receptors MERCK & CO., INC. (US) 2010-04-20 — — US disclosed
US-20070238723-A1 Benzoxazinyl-amidocyclopentyl-heterocyclic modulators of chemokine receptors GOBLE STEPHEN D 2007-10-11 — — US disclosed
US-20070238723-A1 Benzoxazinyl-amidocyclopentyl-heterocyclic modulators of chemokine receptors GOBLE STEPHEN D 2007-10-11 — — 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-20070238723-A1 Benzoxazinyl-amidocyclopentyl-heterocyclic modulators of chemokine receptors CCR1, CCR2, CCRL2 THRB 1379/4885KDM4E 3926/4885MAPT 3719/4885

“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.

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