SCHEMBL2731874

SCHEMBL2731874

Cn1cnc(CN2CCN(C(=O)OC(C)(C)C)CC2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.44
CHRM4 P08173 1/20 0.44
CHRM1 P11229 1/20 0.44
CHRM3 P20309 1/20 0.44
USP2 O75604 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
VEGFA P15692 1/20 0.42
EGLN1 Q9GZT9 1/20 0.42
POLB P06746 1/20 0.42
HTT P42858 1/20 0.42
ATM Q13315 1/20 0.42
NSD2 O96028 1/20 0.41
PIK3CD O00329 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
ACKR3 P25106 2/20 0.41
GPR119 Q8TDV5 2/20 0.41
GNRHR P30968 1/20 0.40
KDM1A O60341 1/20 0.40
TERT O14746 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
SCHEMBL210854 0.81 ALDH1A1 (0.40) ATMKDM4EALDH1A1GNRHR
SCHEMBL21316494 0.80 FAAH (0.47) KDM4EGPR119
SCHEMBL28709578 0.80 CHRM2 (0.44) CHRM2CHRM4CHRM1CHRM3VEGFA
SCHEMBL30521135 0.77 GPR119 (0.54) CHRM2CHRM4CHRM1CHRM3POLB
SCHEMBL28705806 0.77 GPR119 (0.54) CHRM2CHRM4CHRM1CHRM3POLB
SCHEMBL2733434 0.77 CHRM2 (0.44) CHRM2CHRM4CHRM1CHRM3VEGFA
SCHEMBL2137893 0.77 ALDH1A1 (0.68) CHRM2CHRM4CHRM1CHRM3POLB
SCHEMBL20160543 0.76 TP53 (0.48) CHRM2CHRM4CHRM1CHRM3SMN1; SMN2
SCHEMBL18291489 0.76 CHRM2 (0.46) CHRM2CHRM4CHRM1CHRM3VEGFA
SCHEMBL26665900 0.75 DRD2 (0.48) CHRM2CHRM4CHRM1CHRM3VEGFA

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 CHRM2 941/4885CHRM4 1370/4885CHRM1 480/4885

“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.