SCHEMBL3094130

SCHEMBL3094130

CCC1C(CC)(C(=O)O)C1(C(=O)O)c1ccc2nccnc2c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.36
KMT2A Q03164 4/20 0.36
POLB P06746 3/20 0.36
MEN1 O00255 3/20 0.36
ALDH1A1 P00352 9/20 0.36
KDM4E B2RXH2 7/20 0.36
HPGD P15428 7/20 0.36
TP53 P04637 3/20 0.36
HSD17B10 Q99714 3/20 0.36
CASP1 P29466 2/20 0.36
CASP7 P55210 2/20 0.36
RAB9A P51151 6/20 0.34
SMN1; SMN2 Q16637 5/20 0.34
NPC1 O15118 5/20 0.34
GAA P10253 2/20 0.34
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
NFKB1 P19838 1/20 0.33
CYP2C19 P33261 1/20 0.33

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
SCHEMBL1721474 0.65 AKR1C3 (0.44) MAPTKMT2AMEN1ALDH1A1KDM4E
SCHEMBL13069607 0.61 ALDH1A1 (0.39) MAPTKMT2APOLBMEN1ALDH1A1
SCHEMBL3094127 0.60 ALDH1A1 (0.45) MAPTKMT2APOLBMEN1ALDH1A1
SCHEMBL11519109 0.59 SLC6A3 (0.42) KMT2APOLBMEN1CYP1A2TSHR
SCHEMBL1644064 0.59 NPC1 (0.54) MAPTKMT2APOLBMEN1ALDH1A1
SCHEMBL30134133 0.59 NPC1 (0.54) MAPTKMT2APOLBMEN1ALDH1A1
SCHEMBL18184673 0.59 RAB9A (0.51) MAPTKMT2APOLBMEN1ALDH1A1
SCHEMBL28167267 0.58 MAPT (0.61) MAPTKMT2APOLBMEN1ALDH1A1
SCHEMBL11280628 0.58 KMT2A (0.43) KMT2APOLBMEN1ALDH1A1RAB9A
SCHEMBL17033074 0.58 GAA (0.40) MAPTKMT2APOLBMEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1919908-B1 TRIAZOLE DERIVATIVES AS MODULATORS OF DOPAMINE D3 RECEPTORS GLAXO GROUP LTD (GB) 2010-11-10 EP disclosed
US-7799815-B2 Triazole derivatives as modulators of dopamine D3 receptors GLAXO GROUP LIMITED (GB) 2010-09-21 US disclosed
US-20090221593-A1 TRIAZOLE DERIVATIVES AS MODULATORS OF DOPAMINE D3 RECEPTORS GLAXO GROUP LIMITED (GB) 2009-09-03 US disclosed
EP-1919908-A1 TRIAZOLE DERIVATIVES AS MODULATORS OF DOPAMINE D3 RECEPTORS GLAXO GROUP LIMITED (GB) 2008-05-14 EP disclosed
WO-2007022933-A1 TRIAZOLE DERIVATIVES AS MODULATORS OF DOPAMINE D3 RECEPTORS GLAXO GROUP LIMITED (GB) 2007-03-01 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-20090221593-A1 TRIAZOLE DERIVATIVES AS MODULATORS OF DOPAMINE D3 RECEPTORS DRD3, HTR5A, HTR3C MAPT 3151/4885KMT2A 4496/4885POLB 3960/4885

“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.