SCHEMBL2200178

SCHEMBL2200178

CC(C)(C)OC(=O)N1CCC[C@@H]1CNc1ccccc1F

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 1/20 0.50
KDM1A O60341 1/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
APP P05067 1/20 0.46
HTR1A P08908 1/20 0.46
ADRA2A P08913 1/20 0.46
DRD2 P14416 1/20 0.46
ADRA2B P18089 1/20 0.46
ADRA2C P18825 1/20 0.46
SLC6A2 P23975 1/20 0.46
HRH2 P25021 1/20 0.46
HTR1D P28221 1/20 0.46
HTR1B P28222 1/20 0.46
HTR2A P28223 1/20 0.46
HTR2C P28335 1/20 0.46
HTR7 P34969 1/20 0.46
DRD3 P35462 1/20 0.46
OPRK1 P41145 1/20 0.46
HTR2B P41595 1/20 0.46

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
SCHEMBL15575388 0.87 OPRD1 (0.50) OPRD1KDM1AMEN1KMT2APRMT5
SCHEMBL12311356 0.84 OPRD1 (0.53) OPRD1KDM1AMEN1KMT2APRMT5
SCHEMBL31437092 0.83 KDM1A (0.52) OPRD1KDM1AMEN1KMT2APRMT5
SCHEMBL15575473 0.83 KMT2A (0.50) OPRD1KDM1AMEN1KMT2AAPP
SCHEMBL19540688 0.81 APP (0.49) OPRD1KDM1AAPPHTR1AADRA2A
SCHEMBL2542454 0.81 APP (0.49) OPRD1KDM1AMEN1KMT2AAPP
SCHEMBL5870922 0.81 ACKR3 (0.58) KDM1AGPR119KDM4EPKM
SCHEMBL25481706 0.80 OPRD1 (0.48) OPRD1KDM1AMEN1KMT2AAPP
SCHEMBL4308226 0.79 PRMT5 (0.50) OPRD1KDM1AMEN1KMT2APRMT5
SCHEMBL4308216 0.79 PRMT5 (0.50) OPRD1KDM1AMEN1KMT2APRMT5

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1912994-B1 ADENINE DERIVATIVES MERCK PATENT GMBH (DE) 2014-03-12 EP disclosed
US-7977343-B2 Adenine derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2011-07-12 US disclosed
US-20100160352-A1 ADENINE DERIVATIVES MERCK PATENT GMBH (DE) 2010-06-24 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-20100160352-A1 ADENINE DERIVATIVES HSP90AA1, TRAP1, HSP90AB1 OPRD1 2950/4885KDM1A 1471/4885MEN1 4634/4885

“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.