SCHEMBL3638252

SCHEMBL3638252

COCc1ccc(CC2CCCN2C(=O)OC(C)(C)C)cc1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KLK7 P49862 1/20 0.44
NR1H2 P55055 2/20 0.42
NR1H3 Q13133 2/20 0.42
NPC1 O15118 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
OPRD1 P41143 1/20 0.42
PARP1 P09874 1/20 0.42
LMNA P02545 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
FPR3 P25089 1/20 0.41
FPR2 P25090 1/20 0.41
ALDH1A1 P00352 1/20 0.41
KDM1A O60341 1/20 0.41
PDE8B O95263 1/20 0.40
ATM Q13315 2/20 0.40
PRMT5 O14744 1/20 0.40
ALOX5AP P20292 1/20 0.40
FEN1 P39748 1/20 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
SCHEMBL10132334 0.88 NPSR1 (0.50) NR1H2NR1H3NPC1MEN1KMT2A
SCHEMBL10132293 0.86 ALDH1A1 (0.51) NR1H2NR1H3NPC1MEN1KMT2A
SCHEMBL1992474 0.86 FPR3 (0.52) NR1H2NR1H3NPC1MEN1KMT2A
SCHEMBL1992473 0.86 FPR3 (0.52) NR1H2NR1H3NPC1MEN1KMT2A
SCHEMBL24881522 0.86 KDM1A (0.46) NR1H2NR1H3NPC1MEN1KMT2A
SCHEMBL23478097 0.86 CCR3 (0.47) NR1H2NR1H3NPC1ALOX5APFEN1
SCHEMBL10132250 0.86 CCR3 (0.47) NR1H2NR1H3NPC1ALOX5APFEN1
SCHEMBL698218 0.86 NR1H2 (0.54) KLK7NR1H2NR1H3MEN1KMT2A
SCHEMBL698422 0.86 NR1H2 (0.54) KLK7NR1H2NR1H3MEN1KMT2A
SCHEMBL27854990 0.86 NR1H2 (0.54) KLK7NR1H2NR1H3MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2155751-A1 PYRROLOPYRIMIDIN-7-ONE DERIVATIVES AND THEIR USE AS PHARMACEUTICALS AstraZeneca AB (SE) 2010-02-24 EP disclosed
US-20090099195-A1 Therapeutic Compounds 570 ASTRAZENECA AB (SE) 2009-04-16 US disclosed
WO-2008136756-A1 PYRROLOPYRIMIDIN-7-ONE DERIVATIVES AND THEIR USE AS PHARMACEUTICALS ASTRAZENECA AB (SE) 2008-11-13 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-20090099195-A1 Therapeutic Compounds 570 OPRL1, OPRK1, OPRM1 KLK7 2169/4885NR1H2 303/4885NR1H3 332/4885

“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.