SCHEMBL4887023

SCHEMBL4887023

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 2/20 0.51
GABRD O14764 2/20 0.51
GABRA1 P14867 2/20 0.51
GABRB1 P18505 2/20 0.51
GABRG2 P18507 2/20 0.51
GABRB3 P28472 2/20 0.51
GABRA5 P31644 2/20 0.51
GABRA3 P34903 2/20 0.51
GABRA2 P47869 2/20 0.51
GABRB2 P47870 2/20 0.51
GABRA4 P48169 2/20 0.51
GABRE P78334 2/20 0.51
GABRA6 Q16445 2/20 0.51
GABRG1 Q8N1C3 2/20 0.51
GABRG3 Q99928 2/20 0.51
GABRQ Q9UN88 2/20 0.51
ALDH1A1 P00352 6/20 0.48
NPSR1 Q6W5P4 2/20 0.48
KDM4E B2RXH2 5/20 0.48
SMN1; SMN2 Q16637 4/20 0.48

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
SCHEMBL14087736 0.86 SMN1; SMN2 (0.50) ALDH1A1NPSR1KDM4ESMN1; SMN2LMNA
SCHEMBL4884321 0.86 KDM4E (0.47) ALDH1A1KDM4ESMN1; SMN2L3MBTL1MAPT
SCHEMBL4883870 0.85 ALDH1A1 (0.48) ALDH1A1NPSR1KDM4ESMN1; SMN2L3MBTL1
SCHEMBL4887010 0.85 ALDH1A1 (0.50) ALDH1A1NPSR1KDM4ESMN1; SMN2L3MBTL1
SCHEMBL4895411 0.84 ALDH1A1 (0.45) ALDH1A1NPSR1KDM4ESMN1; SMN2LMNA
SCHEMBL4894181 0.82 ALDH1A1 (0.46) ALDH1A1NPSR1KDM4ESMN1; SMN2LMNA
SCHEMBL4896054 0.81 LMNA (0.48) ALDH1A1NPSR1SMN1; SMN2L3MBTL1CYP1A2
SCHEMBL4886969 0.81 SMN1; SMN2 (0.48) ALDH1A1NPSR1KDM4ESMN1; SMN2MAPT
SCHEMBL4892985 0.81 ALDH1A1 (0.52) ALDH1A1NPSR1KDM4ESMN1; SMN2MAPT
SCHEMBL4896941 0.80 ALDH1A1 (0.47) ALDH1A1NPSR1KDM4ESMN1; SMN2L3MBTL1

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 GABRP 711/4885GABRD 891/4885GABRA1 1022/4885

“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.