SCHEMBL1750889

SCHEMBL1750889

CNC(=O)CCc1ccc(Cl)c(CO)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PYGL P06737 1/20 0.48
KMT2A Q03164 2/20 0.44
GRIN1 Q05586 4/20 0.40
GRIN2B Q13224 4/20 0.40
PCNA P12004 1/20 0.39
MEN1 O00255 1/20 0.39
FFAR1 O14842 2/20 0.39
FFAR4 Q5NUL3 1/20 0.39
TSHR P16473 1/20 0.39
HSD17B1 P14061 1/20 0.39
HSD17B2 P37059 1/20 0.39
TRPV1 Q8NER1 2/20 0.38
CYP3A4 P08684 2/20 0.38
ALDH1A1 P00352 1/20 0.38
REN P00797 1/20 0.38
KCNH2 Q12809 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38

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
SCHEMBL91334 0.89 PYGL (0.49) PYGLKMT2AGRIN1GRIN2BPCNA
SCHEMBL30791548 0.84 PYGL (0.65) PYGLGRIN1GRIN2BFFAR1TSHR
SCHEMBL28190396 0.84 PYGL (0.65) PYGLGRIN1GRIN2BFFAR1TSHR
SCHEMBL16750370 0.83 NPC1 (0.46) PYGLKMT2AFFAR1FFAR4TSHR
SCHEMBL1750638 0.81 FFAR1 (0.51) FFAR1FFAR4
SCHEMBL1751125 0.80 KMT2A (0.41) PYGLKMT2AGRIN1GRIN2BPCNA
SCHEMBL2635483 0.78 KMT2A (0.40) PYGLKMT2AGRIN1GRIN2BPCNA
SCHEMBL2635482 0.78 KMT2A (0.47) PYGLKMT2AALDH1A1CYP2D6CYP2C19
SCHEMBL1750381 0.78 PYGL (0.47) PYGLKMT2AGRIN1GRIN2BPCNA
SCHEMBL78415 0.78 GAA (0.48) PYGLKMT2AGRIN1GRIN2BMEN1

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
US-7968720-B2 Secondary amines as renin inhibitors ACTELION PHARMACEUTICALS LTD. (CH) 2011-06-28 US disclosed
US-20090176823-A1 Secondary Amines as Renin Inhibitors ACTELION PHARMACEUTICALS LTD. (CH) 2009-07-09 US disclosed
CN-101379033-A Secondary amines ACTELION PHARMACEUTICALS LTD (CH) 2009-03-04 CN disclosed
EP-1910272-A1 RENIN INHIBITORS Merck Frosst Canada Ltd. (CA) 2008-04-16 EP disclosed
WO-2007009250-A1 RENIN INHIBITORS MERCK FROSST CANADA LTD. (CA) 2007-01-25 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-20090176823-A1 Secondary Amines as Renin Inhibitors REN, ACE, AGTR1 PYGL 1064/4885KMT2A 1663/4885GRIN1 1446/4885

“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.