SCHEMBL1777304

SCHEMBL1777304

Fc1cccc(-c2csc(CC3CCCCN3)n2)c1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.47
MEN1 O00255 1/20 0.47
MAPT P10636 1/20 0.47
KMT2A Q03164 1/20 0.47
ALDH1A1 P00352 1/20 0.40
POLB P06746 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
HTR2A P28223 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37
HDAC1 Q13547 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
HDAC9 Q9UKV0 1/20 0.36
IL4I1 Q96RQ9 1/20 0.36
MAP4K4 O95819 2/20 0.36
SCN9A Q15858 1/20 0.36
PDE3B Q13370 1/20 0.36
PDE3A Q14432 1/20 0.36
LTA4H P09960 1/20 0.35

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
SCHEMBL1777306 1.00 KDM4E (0.47) KDM4EMEN1MAPTKMT2AALDH1A1
SCHEMBL1778077 0.86 POLB (0.52) MEN1MAPTKMT2AALDH1A1POLB
SCHEMBL1778079 0.86 POLB (0.52) MEN1MAPTKMT2AALDH1A1POLB
SCHEMBL1777625 0.79 NPC1 (0.52) MAPTALDH1A1POLBSMN1; SMN2HTR2A
SCHEMBL1777629 0.79 NPC1 (0.52) MAPTALDH1A1POLBSMN1; SMN2HTR2A
SCHEMBL9046674 0.77 LTA4H (0.46) KDM4EMEN1MAPTKMT2AALDH1A1
SCHEMBL16217980 0.72 KDM4E (0.67) KDM4EMEN1MAPTKMT2AALDH1A1
SCHEMBL12775950 0.70 KDM4E (0.59) KDM4EMEN1MAPTKMT2AALDH1A1
SCHEMBL12844163 0.70 KDM4E (0.59) KDM4EMEN1MAPTKMT2AALDH1A1
SCHEMBL20795035 0.69 KDM4E (0.57) KDM4EMEN1MAPTKMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7943645-B2 Piperidine compounds for use as orexin receptor antagonist SMITHKLINE BEECHAM LIMITED (GB) 2011-05-17 US disclosed
US-20090082390-A1 PIPERIDINE COMPOUNDS FOR USE AS OREXIN RECEPTOR ANTAGONIST SMITHKLINE BEECHAM P.L.C. 2009-03-26 US disclosed
US-7423052-B2 Piperidine compounds for use as orexin receptor antagoinst SMITHKLINE BEECHAM P.L.C. (GB) 2008-09-09 US disclosed
EP-1406897-B1 COMPOUNDS SMITHKLINE BEECHAM PLC (GB) 2007-03-14 EP disclosed
US-20040215014-A1 Piperidine compounds for use as orexin receptor antagonist SMITHKLINE BEECHAM LIMITED (GB) 2004-10-28 US disclosed
EP-1406897-A2 COMPOUNDS SmithKline Beecham plc (GB) 2004-04-14 EP disclosed
WO-2003002559-A2 PIPERIDINE COMPOUNDS FOR USE AS OREXIN RECEPTOR ANTAGONIST SMITHKLINE BEECHAM P.L.C. (GB) 2003-01-09 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 (2 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-20090082390-A1 PIPERIDINE COMPOUNDS FOR USE AS OREXIN RECEPTOR ANTAGONIST HCRTR2, HCRTR1, OXTR KDM4E 1148/4885MEN1 2317/4885MAPT 1584/4885
US-20040215014-A1 Piperidine compounds for use as orexin receptor antagonist HCRTR2, HCRTR1, OXTR KDM4E 878/4885MEN1 1974/4885MAPT 1105/4885

“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.