SCHEMBL2733432

SCHEMBL2733432

CC(C)c1nc(CN2CCN(C(=O)OC(C)(C)C)CC2)cs1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACKR3 P25106 5/20 0.47
DRD2 P14416 1/20 0.45
HTR2A P28223 1/20 0.45
HRH1 P35367 1/20 0.45
ALDH1A1 P00352 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HTT P42858 2/20 0.43
NPC1 O15118 1/20 0.43
MAPT P10636 1/20 0.43
MAPK1 P28482 1/20 0.43
RAB9A P51151 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
KMT2A Q03164 1/20 0.42
ATM Q13315 1/20 0.41
PIK3CD O00329 3/20 0.41
CHRM2 P08172 1/20 0.41
CHRM4 P08173 1/20 0.41
CHRM1 P11229 1/20 0.41
CHRM3 P20309 1/20 0.41
CYP3A4 P08684 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
SCHEMBL21579067 0.84 ACKR3 (0.49) ACKR3HRH1ALDH1A1SMN1; SMN2KMT2A
SCHEMBL2734028 0.84 ALDH1A1 (0.60) ACKR3ALDH1A1SMN1; SMN2MAPTL3MBTL1
SCHEMBL465777 0.83 SMN1; SMN2 (0.51) ACKR3ALDH1A1SMN1; SMN2KMT2APIK3CD
SCHEMBL209900 0.83 DRD2 (0.53) DRD2HTR2AHRH1ALDH1A1SMN1; SMN2
SCHEMBL22221684 0.80 ACKR3 (0.71) ACKR3DRD2HTR2AHRH1NPC1
SCHEMBL13719563 0.78 ACKR3 (0.58) ACKR3DRD2ALDH1A1SMN1; SMN2HTT
SCHEMBL2734031 0.78 HTT (0.44) ACKR3ALDH1A1SMN1; SMN2HTTNPC1
SCHEMBL2733434 0.76 CHRM2 (0.44) ACKR3ALDH1A1CHRM2CHRM4CHRM1
SCHEMBL14338847 0.76 DRD2 (0.55) DRD2HTR2AHRH1ALDH1A1SMN1; SMN2
SCHEMBL12028949 0.75 DRD2 (0.58) ACKR3DRD2HTR2AHRH1ALDH1A1

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 ACKR3 4218/4885DRD2 4229/4885HTR2A 4230/4885

“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.