SCHEMBL8007405

SCHEMBL8007405

C[C@H]1CC[C@@H](CNc2ccc(Br)cn2)N(C(=O)OC(C)(C)C)C1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 3/20 0.60
HCRTR1 O43613 2/20 0.60
OPRK1 P41145 1/20 0.60
POLB P06746 2/20 0.43
RAB9A P51151 2/20 0.40
NPC1 O15118 1/20 0.40
ALDH1A1 P00352 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
DGAT1 O75907 1/20 0.40
FPR3 P25089 1/20 0.40
FPR2 P25090 1/20 0.40
PRMT5 O14744 1/20 0.39
USP30 Q70CQ3 2/20 0.39
KMT2A Q03164 1/20 0.37
IDO1 P14902 1/20 0.36
TDO2 P48775 1/20 0.36
GPR119 Q8TDV5 1/20 0.36
TSHR P16473 1/20 0.36
KCNK3 O14649 1/20 0.36
KCNK9 Q9NPC2 1/20 0.36

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
SCHEMBL8007000 0.88 HCRTR1 (0.47) HCRTR2HCRTR1OPRK1PRMT5
SCHEMBL9928401 0.88 HCRTR1 (0.51) HCRTR2HCRTR1OPRK1PRMT5
SCHEMBL1119975 0.86 HCRTR1 (0.49) HCRTR2HCRTR1OPRK1
SCHEMBL1598674 0.86 FPR3 (0.53) HCRTR2HCRTR1OPRK1RAB9ANPC1
SCHEMBL1598677 0.86 FPR3 (0.53) HCRTR2HCRTR1OPRK1RAB9ANPC1
SCHEMBL4303727 0.85 HCRTR2 (0.64) HCRTR2HCRTR1OPRK1POLBRAB9A
SCHEMBL12846343 0.85 HCRTR2 (0.62) HCRTR2HCRTR1OPRK1POLBRAB9A
SCHEMBL9928406 0.79 HCRTR1 (0.42) HCRTR2HCRTR1OPRK1PRMT5KMT2A
SCHEMBL6519220 0.78 HCRTR1 (0.71) HCRTR2HCRTR1OPRK1RAB9ANPC1
SCHEMBL1119830 0.78 HCRTR2 (0.75) HCRTR2HCRTR1OPRK1RAB9ANPC1

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 2 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
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 HCRTR2 1/4885HCRTR1 2/4885OPRK1 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.