SCHEMBL6519608

SCHEMBL6519608

C[C@H]1CC[C@@H](CNc2ccc(Br)cn2)NC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 1/20 0.41
HCRTR2 O43614 1/20 0.41
OPRK1 P41145 1/20 0.41
NPC1 O15118 4/20 0.38
SMN1; SMN2 Q16637 4/20 0.38
ALDH1A1 P00352 2/20 0.38
ATM Q13315 1/20 0.38
KDM4E B2RXH2 1/20 0.38
MAPK1 P28482 1/20 0.38
RAB9A P51151 4/20 0.37
PKM P14618 3/20 0.37
POLB P06746 1/20 0.37
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
MAPT P10636 3/20 0.36
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.35
NFKB1 P19838 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 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
SCHEMBL9899326 0.84 CRHR1 (0.39) HCRTR1HCRTR2OPRK1
SCHEMBL1119706 0.84 HCRTR1 (0.38) HCRTR1HCRTR2SMN1; SMN2ALDH1A1KMT2A
SCHEMBL6523847 0.81 NPC1 (0.41) HCRTR1HCRTR2NPC1RAB9A
SCHEMBL1598038 0.80 IDO1 (0.49) NPC1SMN1; SMN2ALDH1A1RAB9APKM
SCHEMBL17141620 0.74 NPC1 (0.48) NPC1SMN1; SMN2ALDH1A1ATMKDM4E
SCHEMBL9898617 0.72 IL1B (0.42) HCRTR1HCRTR2
SCHEMBL9928405 0.70 MAPK1 (0.46) HCRTR1HCRTR2ALDH1A1MAPK1GAA
SCHEMBL10208455 0.70 NPC1 (0.55) NPC1SMN1; SMN2ALDH1A1ATMKDM4E
SCHEMBL4303727 0.69 HCRTR2 (0.64) HCRTR1HCRTR2OPRK1NPC1SMN1; SMN2
SCHEMBL9900511 0.68 HCRTR1 (0.37) HCRTR1HCRTR2

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-20110053979-A1 PYRIDINE DERIVATIVES USED TO TREAT OREXIN RELATED DISORDERS GLAXO GROUP LIMITED (GB) 2011-03-03 US disclosed
US-20110053979-A1 PYRIDINE DERIVATIVES USED TO TREAT OREXIN RELATED DISORDERS GLAXO GROUP LIMITED (GB) 2011-03-03 US disclosed
US-20110053979-A1 PYRIDINE DERIVATIVES USED TO TREAT OREXIN RELATED DISORDERS GLAXO GROUP LIMITED (GB) 2011-03-03 US disclosed
WO-2009124956-A1 PYRIDINE DERIVATIVES USED TO TREAT OREXIN RELATED DISORDERS GLAXO GROUP LIMITED (GB) 2009-10-15 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-20110053979-A1 PYRIDINE DERIVATIVES USED TO TREAT OREXIN RELATED DISORDERS HCRTR2, HCRTR1, NPY4R HCRTR1 2/4885HCRTR2 1/4885OPRK1 133/4885

“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.