SCHEMBL4497713

SCHEMBL4497713

Cn1c(CCC=O)nc2ccccc21

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 1/20 0.61
MAPT P10636 2/20 0.57
NPC1 O15118 4/20 0.56
RAB9A P51151 4/20 0.56
SMN1; SMN2 Q16637 4/20 0.56
PDE10A Q9Y233 2/20 0.56
GAA P10253 2/20 0.56
ALDH1A1 P00352 1/20 0.53
RECQL P46063 1/20 0.53
LMNA P02545 2/20 0.53
TSHR P16473 1/20 0.52
KDM4E B2RXH2 1/20 0.51
POLB P06746 1/20 0.51
USP2 O75604 1/20 0.51
PKM P14618 1/20 0.50

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
SCHEMBL17933569 0.91 MAPT (0.62) HDAC6MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL15331067 0.83 HDAC6 (0.56) HDAC6MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL9569938 0.81 HDAC6 (0.67) HDAC6MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL14050118 0.81 MAPT (0.76) HDAC6MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL3640134 0.80 LMNA (0.64) HDAC6MAPTNPC1RAB9ASMN1; SMN2
Iodide SCHEMBL3451154 0.78 LMNA (0.62) HDAC6MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL17933573 0.78 MAPT (0.62) HDAC6MAPTNPC1RAB9ASMN1; SMN2
Iodide SCHEMBL3451153 0.78 LMNA (0.62) HDAC6MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL4728786 0.78 HDAC6 (0.67) HDAC6MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL28038284 0.78 MAPT (0.67) HDAC6MAPTNPC1RAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090118200-A1 Proline bis-amide orexin receptor antagonists MERCK SHARP & DOHME CORP. 2009-05-07 US disclosed
US-20090118200-A1 Proline bis-amide orexin receptor antagonists MERCK SHARP & DOHME CORP. 2009-05-07 US disclosed
US-20090118200-A1 Proline bis-amide orexin receptor antagonists MERCK SHARP & DOHME CORP. 2009-05-07 US disclosed
EP-1888563-A1 PROLINE BIS-AMIDE OREXIN RECEPTOR ANTAGONISTS Merck & Co., Inc. (US) 2008-02-20 EP disclosed
WO-2006127550-A1 PROLINE BIS-AMIDE OREXIN RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 2006-11-30 WO disclosed
WO-2006127550-A1 PROLINE BIS-AMIDE OREXIN RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 2006-11-30 WO 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-20090118200-A1 Proline bis-amide orexin receptor antagonists HCRTR1, HCRTR2, NPSR1 HDAC6 628/4885MAPT 547/4885NPC1 1512/4885

“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.