SCHEMBL1760845

SCHEMBL1760845

O=C(ON1CCC(Cc2ccc(Cl)cc2)C1)C(=O)ON1CCC(Cc2ccc(Cl)cc2)C1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.47
TACR3 P29371 1/20 0.42
GMNN O75496 1/20 0.41
TP53 P04637 1/20 0.41
CYP3A4 P08684 1/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
NFKB1 P19838 1/20 0.41
THPO P40225 1/20 0.41
MTOR P42345 1/20 0.41
BLM P54132 1/20 0.41
GRIN1 Q05586 1/20 0.41
GRIN2B Q13224 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
SPR P35270 2/20 0.41
DRD4 P21917 1/20 0.41
ADAMTS5 Q9UNA0 1/20 0.41
CCR3 P51677 1/20 0.41
CCR5 P51681 1/20 0.41
SLC6A2 P23975 2/20 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
SCHEMBL3544684 0.83 SMN1; SMN2 (0.49) GRIN1GRIN2BCCR3CCR5GAA
SCHEMBL1760952 0.82 LPL (0.49) ALDH1A1CCR3CCR5SLC6A2SLC6A4
SCHEMBL3544423 0.78 ALDH1A1 (0.43) ALDH1A1TP53CYP3A4CCR3
SCHEMBL3171393 0.78 ALDH1A1 (0.48) ALDH1A1GMNNTP53CYP3A4ALOX15
SCHEMBL2930984 0.77 TACR3 (0.57) ALDH1A1TACR3SPRADAMTS5CCR3
SCHEMBL5224982 0.76 S1PR5 (0.37) ALDH1A1GMNNTP53CYP3A4ALOX15
SCHEMBL3546582 0.75 NPC1 (0.46) TP53NFKB1PROKR1
SCHEMBL11339489 0.73 ALDH1A1 (0.55) ALDH1A1SLC6A2SLC6A3FPR2PROKR1
SCHEMBL4959434 0.73 ALDH1A1 (0.59) ALDH1A1SPRADAMTS5CCR3
SCHEMBL1812750 0.72 SLC2A1 (0.48) ALDH1A1CCR3CCR5SLC6A2SLC6A4

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7947692-B2 Substituted thiazolo[5,4-d]pyrimidine urea derivatives HOFFMANN-LA ROCHE INC. (US) 2011-05-24 US disclosed
EP-2027132-B1 THIAZOLO-PYRAMIDINE / PYRIDINE UREA DERIVATIVES AS ADENOSINE A2B RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2010-09-15 EP disclosed
US-7666888-B2 Substituted azole aromatic heterocycles as inhibitors of 11β-HSD-1 AMGEN INC. (US) 2010-02-23 US disclosed
EP-2051977-A2 SUBSTITUTED AZOLE AROMATIC HETEROCYCLES AS INHIBITORS OF LLbeta-HSD-1 Amgen Inc. (US) 2009-04-29 EP disclosed
EP-2027132-A1 THIAZOLO-PYRAMIDINE / PYRIDINE UREA DERIVATIVES AS ADENOSINE A2B RECEPTOR ANTAGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2009-02-25 EP disclosed
WO-2008011453-A2 SUBSTITUTED AZOLE AROMATIC HETEROCYCLES AS INHIBITORS OF LLβ-HSD-1 AMGEN INC. (US) 2008-01-24 WO disclosed
US-20080021022-A1 SUBSTITUTED AZOLE AROMATIC HETEROCYCLES AS INHIBITORS OF 11BETA-HSD-1 AMGEN INC. 2008-01-24 US disclosed
WO-2007134958-A1 THIAZOLO-PYRAMIDINE / PYRIDINE UREA DERIVATIVES AS ADENOSINE A2B RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2007-11-29 WO disclosed
US-20070270433-A1 Thiazolo-pyrimidine/pyridine urea derivatives BRINKMAN JOHN A 2007-11-22 US disclosed
EP-1778675-A1 CHIRAL PYRROLIDINE DERIVATIVES, AND METHODS FOR PREPARING COMPOUNDS THEREOF Cylene Pharmaceuticals, Inc. (US) 2007-05-02 EP disclosed
WO-2006015150-A1 CHIRAL PYRROLIDINE DERIVATIVES, AND METHODS FOR PREPARING COMPOUNDS THEREOF CYLENE PHARMACEUTICALS (US) 2006-02-09 WO disclosed
US-20060025468-A1 Chiral pyrrolidine derivatives, and methods for preparing compounds thereof CYLENE PHARMACEUTICALS 2006-02-02 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 (3 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-20080021022-A1 SUBSTITUTED AZOLE AROMATIC HETEROCYCLES AS INHIBITORS OF 11BETA-HSD-1 HSD17B1, HSD11B1, HSD17B11 ALDH1A1 86/4885TACR3 3475/4885GMNN 4663/4885
US-20060025468-A1 Chiral pyrrolidine derivatives, and methods for preparing compounds thereof PIN1, HPD, DHPS ALDH1A1 1117/4885TACR3 1602/4885GMNN 655/4885
US-20070270433-A1 Thiazolo-pyrimidine/pyridine urea derivatives ADORA2B, UTS2R, TBXA2R ALDH1A1 676/4885TACR3 1336/4885GMNN 4463/4885

“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.