SCHEMBL3174465

SCHEMBL3174465

CC(C)(C)OC(=O)C(C(=O)O)N1CCCCC1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.37
ALDH1A1 P00352 2/20 0.36
LMNA P02545 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
CTSL P07711 2/20 0.36
DPP7 Q9UHL4 1/20 0.36
GAA P10253 1/20 0.34
EPHX1 P07099 1/20 0.33
CTSK P43235 1/20 0.33
USP2 O75604 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HRH3 Q9Y5N1 1/20 0.32
MAPT P10636 1/20 0.31
MAPK1 P28482 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
PREP P48147 1/20 0.31

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
SCHEMBL10726945 0.98 HPGD (0.35) HPGDALDH1A1LMNAMEN1KMT2A
SCHEMBL20338404 0.83 OPRD1 (0.34) USP2SMN1; SMN2HRH3
SCHEMBL7435919 0.82 MEN1 (0.40) HPGDALDH1A1LMNAMEN1KMT2A
SCHEMBL22263552 0.79 HRH3 (0.37) HPGDALDH1A1LMNAMEN1KMT2A
SCHEMBL10724226 0.79 CTSL (0.40) HPGDALDH1A1LMNAMEN1KMT2A
SCHEMBL1447519 0.78 HPGD (0.39) HPGDALDH1A1LMNAMEN1KMT2A
SCHEMBL18289862 0.78 HPGD (0.39) HPGDALDH1A1LMNAMEN1KMT2A
SCHEMBL10638167 0.77 SLC6A2 (0.49) HPGDALDH1A1LMNAMEN1KMT2A
SCHEMBL1620937 0.76 HPGD (0.38) HPGDALDH1A1LMNAMEN1KMT2A
SCHEMBL20589146 0.76 DPP7 (0.41) HPGDALDH1A1LMNAMEN1KMT2A

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 14 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
EP-1615699-B1 BENZOXAZINYL-AMIDOCYCLOPENTYL-HETEROCYCLIC MODULATORS OF CHEMOKINE RECEPTORS MERCK SHARP & DOHME (US) 2010-03-24 EP disclosed
US-20070238723-A1 Benzoxazinyl-amidocyclopentyl-heterocyclic modulators of chemokine receptors GOBLE STEPHEN D 2007-10-11 US disclosed
US-20060069088-A1 Benzoxazinyl-amidocyclopentyl-heterocyclic modulators of chemokine receptors MERCK SHARP & DOHME LLC 2006-03-30 US disclosed
EP-1615699-A2 BENZOXAZINYL-AMIDOCYCLOPENTYL-HETEROCYCLIC MODULATORS OF CHEMOKINE RECEPTORS Merck & Co., Inc. (US) 2006-01-18 EP disclosed
WO-2004092124-A2 BENZOXAZINYL-AMIDOCYCLOPENTYL-HETEROCYCLIC MODULATORS OF CHEMOKINE RECEPTORS MERCK & CO., INC. (US) 2004-10-28 WO disclosed
EP-0942906-A2 COMPOUNDS USEFUL FOR INHIBITION OF FARNESYL PROTEIN TRANSFERASE SCHERING CORPORATION (US) 1999-09-22 EP disclosed
EP-0934303-A2 COMPOUNDS USEFUL FOR INHIBITION OF FARNESYL PROTEIN TRANSFERASE SCHERING CORPORATION (US) 1999-08-11 EP disclosed
EP-0929545-A1 TRICYCLIC INHIBITORS OF FARNESYL PROTEIN TRANSFERASE SCHERING CORPORATION (US) 1999-07-21 EP disclosed
EP-0927179-A1 SUBSTITUTED BENZOCYCLOHEPTAPYRIDINE DERIVATIVES USEFUL FOR INHIBITION OF FARNESYL PROTEIN TRANSFERASE SCHERING CORPORATION (US) 1999-07-07 EP disclosed
WO-1998030558-A2 TRICYCLIC COMPOUNDS USEFUL FOR INHIBITION OF FARNESYL PROTEIN TRANSFERASE SCHERING CORPORATION (US) 1998-07-16 WO disclosed
WO-1998011091-A2 TRICYCLIC COMPOUNDS USEFUL FOR INHIBITION OF FARNESYL PROTEIN TRANSFERASE SCHERING CORPORATION (US) 1998-03-19 WO disclosed
WO-1998011100-A1 SUBSTITUTED BENZOCYCLOHEPTAPYRIDINE DERIVATIVES USEFUL FOR INHIBITION OF FARNESYL PROTEIN TRANSFERASE SCHERING CORPORATION (US) 1998-03-19 WO disclosed
WO-1998011093-A1 TRICYCLIC INHIBITORS OF FARNESYL PROTEIN TRANSFERASE SCHERING CORPORATION (US) 1998-03-19 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 (2 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-20060069088-A1 Benzoxazinyl-amidocyclopentyl-heterocyclic modulators of chemokine receptors CCR1, CCR2, CCRL2 HPGD 1308/4885ALDH1A1 2799/4885LMNA 3627/4885
US-20070238723-A1 Benzoxazinyl-amidocyclopentyl-heterocyclic modulators of chemokine receptors CCR1, CCR2, CCRL2 HPGD 1308/4885ALDH1A1 2799/4885LMNA 3627/4885

“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.