SCHEMBL209900

SCHEMBL209900

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

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 3/20 0.53
HTR2A P28223 1/20 0.53
HRH1 P35367 1/20 0.53
KMT2A Q03164 1/20 0.46
ALDH1A1 P00352 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CHRM2 P08172 3/20 0.41
CHRM3 P20309 3/20 0.41
DRD4 P21917 2/20 0.41
DRD3 P35462 2/20 0.41
SLC6A3 Q01959 1/20 0.40
NPC1 O15118 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
MAPT P10636 1/20 0.38
TSHR P16473 1/20 0.38
HCRTR1 O43613 1/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.38
CYP3A4 P08684 1/20 0.38
TACR3 P29371 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
SCHEMBL2733432 0.83 ACKR3 (0.47) DRD2HTR2AHRH1KMT2AALDH1A1
SCHEMBL209236 0.82 KMT2A (0.65) DRD2KMT2AALDH1A1SMN1; SMN2DRD4
SCHEMBL14338847 0.81 DRD2 (0.55) DRD2HTR2AHRH1KMT2AALDH1A1
SCHEMBL4547892 0.81 DRD2 (0.58) DRD2HTR2AHRH1KMT2ASMN1; SMN2
SCHEMBL12028949 0.81 DRD2 (0.58) DRD2HTR2AHRH1KMT2AALDH1A1
SCHEMBL20338952 0.80 KMT2A (0.53) DRD2KMT2AALDH1A1SMN1; SMN2DRD4
SCHEMBL4547891 0.80 DRD2 (0.56) DRD2HTR2AHRH1ALDH1A1SMN1; SMN2
SCHEMBL11623344 0.77 DRD4 (0.66) DRD2HTR2AHRH1KMT2AALDH1A1
SCHEMBL12028984 0.77 SMN1; SMN2 (0.61) DRD2HTR2AHRH1SMN1; SMN2DRD4
SCHEMBL210655 0.77 DRD2 (0.54) DRD2HTR2AHRH1KMT2AALDH1A1

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
EP-1963315-B1 ENZYME INHIBITORS CANCER REC TECH LTD (GB) 2014-10-08 EP 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
EP-1963315-A2 ENZYME INHIBITORS The Institute of Cancer Research (GB) 2008-09-03 EP disclosed
WO-2007072017-A2 ENZYME INHIBITORS THE INSTITUTE OF CANCER RESEARCH (GB) 2007-06-28 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-20090247507-A1 Enzyme Inhibitors AURKC, AURKB, AURKA DRD2 4229/4885HTR2A 4230/4885HRH1 785/4885

“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.