SCHEMBL6523847

SCHEMBL6523847

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

nearest known ligand 0.45

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
HCRTR1 O43613 10/20 0.40
HCRTR2 O43614 5/20 0.40
IL1B P01584 5/20 0.39

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
SCHEMBL9900511 0.84 HCRTR1 (0.37) HCRTR1HCRTR2
SCHEMBL9899326 0.84 CRHR1 (0.39) HCRTR1HCRTR2
SCHEMBL296168 0.82 IL1B (0.41) NPC1RAB9AHCRTR1HCRTR2IL1B
SCHEMBL9928405 0.82 MAPK1 (0.46) HCRTR1HCRTR2IL1B
SCHEMBL22761841 0.81 IL1B (0.53) NPC1RAB9AIL1B
SCHEMBL1119706 0.81 HCRTR1 (0.38) HCRTR1HCRTR2
SCHEMBL6519608 0.81 HCRTR1 (0.41) NPC1RAB9AHCRTR1HCRTR2
SCHEMBL3390142 0.79 NPC1 (0.42) NPC1RAB9AHCRTR1HCRTR2IL1B
SCHEMBL9898617 0.79 IL1B (0.42) HCRTR1HCRTR2IL1B
SCHEMBL262568 0.79 NPC1 (0.42) NPC1RAB9AHCRTR1HCRTR2IL1B

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-20120149711-A1 PIPERIDINE DERIVATIVES USED AS OREXIN ANTAGONISTS GLAXO GROUP LIMITED 2012-06-14 US disclosed
US-20120149711-A1 PIPERIDINE DERIVATIVES USED AS OREXIN ANTAGONISTS GLAXO GROUP LIMITED 2012-06-14 US disclosed
US-20120149711-A1 PIPERIDINE DERIVATIVES USED AS OREXIN ANTAGONISTS GLAXO GROUP LIMITED 2012-06-14 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
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 (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-20120149711-A1 PIPERIDINE DERIVATIVES USED AS OREXIN ANTAGONISTS HCRTR2, HCRTR1, OXTR NPC1 954/4885RAB9A 2076/4885HCRTR1 2/4885
US-20110053979-A1 PYRIDINE DERIVATIVES USED TO TREAT OREXIN RELATED DISORDERS HCRTR2, HCRTR1, NPY4R NPC1 783/4885RAB9A 2074/4885HCRTR1 2/4885

“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.