SCHEMBL210854

SCHEMBL210854

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.40
KDM4E B2RXH2 6/20 0.40
HRH3 Q9Y5N1 3/20 0.40
TSHR P16473 2/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
MTOR P42345 1/20 0.40
HRH4 Q9H3N8 1/20 0.40
TDP1 Q9NUW8 1/20 0.39
MAPT P10636 1/20 0.39
MAPK1 P28482 1/20 0.39
GNRHR P30968 1/20 0.38
OPRM1 P35372 1/20 0.38
FAAH O00519 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ATM Q13315 1/20 0.36
RET P07949 1/20 0.36

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
SCHEMBL2731874 0.81 CHRM2 (0.44) ALDH1A1KDM4EGNRHRATM
SCHEMBL18390907 0.80 KDM4E (0.48) ALDH1A1KDM4EHRH3TSHRCYP2C9
SCHEMBL807357 0.77 HRH3 (0.47) ALDH1A1KDM4EHRH3TSHRCYP2C9
SCHEMBL18705088 0.75 HRH3 (0.42) ALDH1A1KDM4EHRH3TSHRCYP2C9
SCHEMBL211045 0.74 HRH3 (0.44) ALDH1A1HRH3TSHRCYP2C9CYP2C19
SCHEMBL20353494 0.73 HRH3 (0.40) KDM4EHRH3TSHRCYP2C9CYP2C19
SCHEMBL210366 0.71 OPRD1 (0.42) ALDH1A1KDM4ETSHRMAPTMAPK1
SCHEMBL2930129 0.71 ALDH1A1 (0.72) ALDH1A1KDM4ETSHRCYP2C19MAPT
SCHEMBL5714373 0.70 ALDH1A1 (0.49) ALDH1A1KDM4ETSHRMAPTMAPK1
SCHEMBL209789 0.70 MEN1 (0.40) ALDH1A1KDM4EOPRM1MEN1KMT2A

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 ALDH1A1 3015/4885KDM4E 587/4885HRH3 273/4885

“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.