SCHEMBL1777692

SCHEMBL1777692

O=C(C[C@@H]1CCCCN1C(=O)O)NNC(=O)c1cc2ccccc2o1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.51
GALK1 P51570 1/20 0.48
POLB P06746 5/20 0.48
MAPT P10636 4/20 0.48
HPGD P15428 4/20 0.47
ALDH1A1 P00352 4/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
TDP1 Q9NUW8 3/20 0.47
KMT2A Q03164 2/20 0.46
NPC1 O15118 5/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
TP53 P04637 3/20 0.46
KDM4E B2RXH2 1/20 0.46
HTT P42858 1/20 0.46
ATM Q13315 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
CYP1A2 P05177 1/20 0.45
CYP2C19 P33261 1/20 0.45
SLC6A2 P23975 1/20 0.44
SLC6A4 P31645 1/20 0.44

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
SCHEMBL1777690 1.00 RAB9A (0.51) RAB9AGALK1POLBMAPTHPGD
SCHEMBL1779434 0.80 L3MBTL1 (0.54) RAB9AHPGDALDH1A1L3MBTL1KMT2A
SCHEMBL1779433 0.80 L3MBTL1 (0.54) RAB9AHPGDALDH1A1L3MBTL1KMT2A
SCHEMBL6645932 0.75 HCRTR1 (0.48) RAB9AMAPTALDH1A1L3MBTL1KMT2A
SCHEMBL1776235 0.75 HCRTR1 (0.48) RAB9AMAPTALDH1A1L3MBTL1KMT2A
SCHEMBL1777409 0.75 HCRTR1 (0.49) MAPTL3MBTL1
SCHEMBL4585745 0.73 ADAM10 (0.54) RAB9APOLBMAPTHPGDALDH1A1
SCHEMBL1776914 0.73 P2RX7 (0.43) MAPTL3MBTL1
SCHEMBL6646483 0.73 RHOC (0.39) RAB9AMAPTALDH1A1NPC1
SCHEMBL1778081 0.73 RHOC (0.39) RAB9AMAPTALDH1A1NPC1

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 4 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
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 (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-20090082390-A1 PIPERIDINE COMPOUNDS FOR USE AS OREXIN RECEPTOR ANTAGONIST HCRTR2, HCRTR1, OXTR RAB9A 1592/4885GALK1 3626/4885POLB 4624/4885

“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.