SCHEMBL2732032

SCHEMBL2732032

Cn1cncc1CN1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 7/20 0.47
CHRM2 P08172 1/20 0.44
CHRM4 P08173 1/20 0.44
CHRM1 P11229 1/20 0.44
CHRM3 P20309 1/20 0.44
VEGFA P15692 1/20 0.42
EGLN1 Q9GZT9 1/20 0.42
HTT P42858 1/20 0.42
ATM Q13315 1/20 0.42
NSD2 O96028 1/20 0.41
TERT O14746 1/20 0.40
PGGT1B P53609 1/20 0.40
CCNK O75909 1/20 0.39
CDK12 Q9NYV4 1/20 0.39

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
SCHEMBL209789 0.81 MEN1 (0.40) ATMPGGT1B
SCHEMBL31599671 0.80 SPR (0.36) GPR119
SCHEMBL31599636 0.80 SPR (0.36) GPR119
SCHEMBL209719 0.77 GPR119 (0.47) GPR119CHRM2CHRM4CHRM1CHRM3
SCHEMBL26668177 0.77 GPR119 (0.49) GPR119PGGT1B
SCHEMBL2733534 0.77 GPR119 (0.46) GPR119CHRM2CHRM4CHRM1CHRM3
SCHEMBL16903852 0.76 NPC1 (0.42) GPR119CHRM2CHRM4CHRM1CHRM3
SCHEMBL25026804 0.75 CHRM2 (0.47) GPR119CHRM2CHRM4CHRM1CHRM3
SCHEMBL26665900 0.75 DRD2 (0.48) GPR119CHRM2CHRM4CHRM1CHRM3
SCHEMBL23966210 0.75 GRM5 (0.43) GPR119

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8088761-B2 Enzyme inhibitors CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2012-01-03 US disclosed
US-8088761-B2 Enzyme inhibitors CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2012-01-03 US disclosed
US-20090247507-A1 Enzyme Inhibitors THE INSTITUTE OF CANCER RESEARCH (GB) 2009-10-01 US disclosed
US-20090247507-A1 Enzyme Inhibitors THE INSTITUTE OF CANCER RESEARCH (GB) 2009-10-01 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 (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-20090247507-A1 Enzyme Inhibitors AURKC, AURKB, AURKA GPR119 3926/4885CHRM2 941/4885CHRM4 1370/4885

“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.