SCHEMBL208307

SCHEMBL208307

CC(c1ccncc1)N1CCN(C(=O)O)CC1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.51
CYP2D6 P10635 1/20 0.50
MC4R P32245 1/20 0.45
CHRM1 P11229 3/20 0.43
CHRM2 P08172 2/20 0.43
RORC P51449 1/20 0.43
HRH3 Q9Y5N1 1/20 0.41
KMT2A Q03164 1/20 0.41
HSD11B1 P28845 1/20 0.40
OGA O60502 1/20 0.39
FAAH O00519 1/20 0.39
MGLL Q99685 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
SCHEMBL27571753 0.85 CYP2D6 (0.71) ALDH1A1CYP2D6MC4RCHRM1CHRM2
SCHEMBL211238 0.82 CYP3A4 (0.52) ALDH1A1CYP2D6
SCHEMBL27666937 0.81 ALDH1A1 (0.51) ALDH1A1CYP2D6MC4RCHRM1CHRM2
SCHEMBL27666938 0.81 ALDH1A1 (0.51) ALDH1A1CYP2D6MC4RCHRM1CHRM2
SCHEMBL25171539 0.81 ALDH1A1 (0.51) ALDH1A1CYP2D6MC4RCHRM1CHRM2
SCHEMBL25171538 0.81 ALDH1A1 (0.51) ALDH1A1CYP2D6MC4RCHRM1CHRM2
SCHEMBL672150 0.81 ALDH1A1 (0.51) ALDH1A1CYP2D6MC4RCHRM1CHRM2
SCHEMBL209672 0.80 GPR119 (0.49) ALDH1A1CHRM1CHRM2HRH3
SCHEMBL19005178 0.80 OGA (0.45) ALDH1A1CYP2D6OGA
SCHEMBL13600067 0.80 POLB (0.57) ALDH1A1CYP2D6KMT2A

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 3015/4885CYP2D6 1028/4885MC4R 4750/4885

“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.