SCHEMBL4887155

SCHEMBL4887155

C[C@@H]1C[C@H](C)CN(C(=O)N(C(=O)CNC(=O)Cc2ccccc2)c2ccc(Br)cc2)C1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.44
KDM4E B2RXH2 2/20 0.41
CNR2 P34972 2/20 0.40
CNR1 P21554 1/20 0.40
OPRK1 P41145 1/20 0.40
OPRM1 P35372 1/20 0.40
OPRD1 P41143 1/20 0.40
KMT2A Q03164 2/20 0.39
PKM P14618 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
ALDH1A1 P00352 1/20 0.38
HTT P42858 1/20 0.38
MEN1 O00255 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
SCHEMBL4887565 0.90 SLC6A9 (0.43) L3MBTL1KDM4ECNR2CNR1OPRK1
SCHEMBL4896093 0.86 KMT2A (0.46) L3MBTL1KDM4EOPRK1KMT2AALDH1A1
SCHEMBL4889461 0.85 KDM4E (0.44) L3MBTL1KDM4EKMT2AALDH1A1MEN1
SCHEMBL4892647 0.82 KDM4E (0.45) L3MBTL1KDM4EKMT2AALDH1A1MEN1
SCHEMBL4882730 0.77 THRB (0.42) KDM4EKMT2AALDH1A1MEN1
SCHEMBL4887134 0.73 HPGD (0.47) L3MBTL1KDM4EKMT2APKMALDH1A1
SCHEMBL4893181 0.68 THRB (0.43) KDM4EKMT2AALDH1A1HTTMEN1
SCHEMBL4892547 0.67 ALDH1A1 (0.40) KDM4EKMT2AALDH1A1MEN1
SCHEMBL14102825 0.67 CNR1 (0.40) L3MBTL1KDM4ECNR2CNR1KMT2A
SCHEMBL8675410 0.64 KMT2A (0.53) L3MBTL1CNR1OPRK1KMT2APKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 L3MBTL1 3221/4885KDM4E 2519/4885CNR2 2182/4885

“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.