SCHEMBL6222283

SCHEMBL6222283

O=C(NC[C@@H]1CCCCN1)Nc1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 4/20 0.63
OPRM1 P35372 1/20 0.61
OPRD1 P41143 1/20 0.61
OPRK1 P41145 1/20 0.61
DPP4 P27487 1/20 0.50
EPHX2 P34913 3/20 0.49
RAB9A P51151 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
POLB P06746 1/20 0.48
ALDH1A1 P00352 2/20 0.47
BRD4 O60885 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
PBK Q96KB5 1/20 0.47
KDM4E B2RXH2 1/20 0.46
JAK3 P52333 2/20 0.46
HCRTR1 O43613 1/20 0.46
HCRTR2 O43614 1/20 0.46
P2RX7 Q99572 1/20 0.45

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
SCHEMBL6222279 1.00 EPHX1 (0.63) EPHX1OPRM1OPRD1OPRK1DPP4
SCHEMBL8290068 0.96 OPRM1 (0.65) EPHX1OPRM1OPRD1OPRK1DPP4
Hydrochloric Acid SCHEMBL4743581 0.94 OPRM1 (0.64) EPHX1OPRM1OPRD1OPRK1DPP4
SCHEMBL6220913 0.86 RAB9A (0.51) EPHX1OPRM1OPRD1OPRK1EPHX2
SCHEMBL6223250 0.86 RAB9A (0.51) EPHX1OPRM1OPRD1OPRK1EPHX2
SCHEMBL6223253 0.85 KMT2A (0.55) EPHX1OPRM1OPRD1OPRK1EPHX2
SCHEMBL7259516 0.80 EPHX2 (0.61) EPHX2RAB9ASMN1; SMN2POLB
SCHEMBL3760743 0.80 ADRB1 (0.59) OPRM1SMN1; SMN2POLBPBK
SCHEMBL2029199 0.80 EPHX2 (0.61) EPHX2RAB9ASMN1; SMN2POLB
SCHEMBL6221703 0.80 ADRB1 (0.59) OPRM1SMN1; SMN2POLBPBK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1289955-B1 PIPERIDINES FOR USE AS OREXIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 2005-04-13 EP disclosed
US-6677354-B2 TREATING SLEEP, BRAIN, SEXUAL, CARDIOVASCULAR, NERVOUS SYSTEM, PSYCHOLOGICAL, GLANDULAR, AND GASTROINTESTINAL DISORDERS SMITHKLINE BEECHAM P.L.C. (GB) 2004-01-13 US disclosed
US-20030186964-A1 Piperdines for use as orexin receptor antagonists SMITHKLINE BEECHAM P.L.C. (GB) 2003-10-02 US disclosed
EP-1289955-A1 PIPERIDINES FOR USE AS OREXIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 2003-03-12 EP disclosed
WO-2001096302-A1 PIPERIDINES FOR USE AS OREXIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM P.L.C. (GB) 2001-12-20 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-20030186964-A1 Piperdines for use as orexin receptor antagonists HCRTR2, HCRTR1, NPSR1 EPHX1 1942/4885OPRM1 7/4885OPRD1 11/4885

“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.