SCHEMBL4889408

SCHEMBL4889408

C[C@@H]1C[C@H](C)CN(C(=O)c2cc(Cl)ccc2NC(=O)CNC(=O)c2ccccn2)C1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.45
GRM5 P41594 4/20 0.43
MAPT P10636 1/20 0.43
ALDH1A1 P00352 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
TSHR P16473 1/20 0.42
RBP4 P02753 1/20 0.41
MCHR1 Q99705 1/20 0.41
KDM4E B2RXH2 1/20 0.40
CCKBR P32239 1/20 0.40

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
SCHEMBL4896576 0.90 HTT (0.46) KMT2AGRM5MAPTALDH1A1NPSR1
SCHEMBL4892539 0.88 GAA (0.43) KMT2AMAPTALDH1A1NPSR1CCKBR
SCHEMBL14087769 0.88 ALDH1A1 (0.42) KMT2AGRM5ALDH1A1NPSR1TSHR
SCHEMBL4884230 0.87 MAPT (0.43) KMT2AGRM5MAPTALDH1A1NPSR1
SCHEMBL4892985 0.87 ALDH1A1 (0.52) KMT2AMAPTALDH1A1NPSR1KDM4E
SCHEMBL4883870 0.83 ALDH1A1 (0.48) KMT2AALDH1A1NPSR1KDM4ECCKBR
SCHEMBL4887551 0.82 ALDH1A1 (0.43) KMT2AALDH1A1NPSR1TSHRKDM4E
SCHEMBL4892536 0.82 ALDH1A1 (0.54) KMT2AALDH1A1TSHRKDM4E
SCHEMBL14087797 0.80 HPGD (0.43) MAPTALDH1A1NPSR1
SCHEMBL14087801 0.79 ALDH1A1 (0.42) MAPTALDH1A1NPSR1TSHRKDM4E

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
US-20080200512-A1 Hepatitis C virus polymerase inhibitors BLANEY JEFFREY MARK 2008-08-21 US disclosed
US-20080200512-A1 Hepatitis C virus polymerase inhibitors BLANEY JEFFREY MARK 2008-08-21 US 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 KMT2A 2650/4885GRM5 3835/4885MAPT 3976/4885

“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.