SCHEMBL4787091

SCHEMBL4787091

C[C@@H]1C[C@H](C)CN(C(=O)c2ccccc2N)C1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G1B P04054 1/20 0.55
ATG4B Q9Y4P1 1/20 0.55
RAB9A P51151 1/20 0.52
GAA P10253 2/20 0.51
ALDH1A1 P00352 2/20 0.50
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
NPSR1 Q6W5P4 1/20 0.48
MAPT P10636 2/20 0.46
HSD11B1 P28845 1/20 0.46
MGLL Q99685 1/20 0.46
TSHR P16473 1/20 0.46
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46
CA14 Q9ULX7 1/20 0.46
KDM4E B2RXH2 1/20 0.44
HPGD P15428 2/20 0.44

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
SCHEMBL10724893 0.88 PLA2G1B (0.63) PLA2G1BATG4BRAB9AGAAALDH1A1
SCHEMBL2181782 0.82 HTT (0.58) PLA2G1BATG4BRAB9AGAAALDH1A1
SCHEMBL10535520 0.81 ACHE (0.61) RAB9AGAAALDH1A1MEN1KMT2A
SCHEMBL3456138 0.81 RAB9A (0.55) PLA2G1BATG4BRAB9AGAAALDH1A1
SCHEMBL3456474 0.81 PLA2G1B (0.55) PLA2G1BATG4BRAB9AGAAALDH1A1
SCHEMBL14087808 0.80 GAA (0.48) PLA2G1BATG4BRAB9AGAAALDH1A1
SCHEMBL4740737 0.79 KDM4E (0.53) PLA2G1BATG4BRAB9AGAAALDH1A1
SCHEMBL4741213 0.79 KDM4E (0.53) PLA2G1BATG4BRAB9AGAAALDH1A1
SCHEMBL4889268 0.79 LMNA (0.47) PLA2G1BATG4BRAB9AGAAALDH1A1
SCHEMBL10663590 0.77 CA12 (0.67) RAB9AALDH1A1MEN1KMT2AHSD11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008098859-A1 HCV POLYMERASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2008-08-21 WO disclosed
US-20080200512-A1 Hepatitis C virus polymerase inhibitors BLANEY JEFFREY MARK 2008-08-21 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-20080200512-A1 Hepatitis C virus polymerase inhibitors SSU72, POLR2H, POLR2E PLA2G1B 3300/4885ATG4B 2152/4885RAB9A 2778/4885

“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.