SCHEMBL9899444

SCHEMBL9899444

Cc1cc(F)cnc1NC[C@@H]1CC[C@H](C)CN1

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SSTR4 P31391 1/20 0.32
HCRTR1 O43613 2/20 0.31
HCRTR2 O43614 1/20 0.31
AGBL2 Q5U5Z8 1/20 0.31
BRD4 O60885 1/20 0.31
ATAD2 Q6PL18 1/20 0.31

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
SCHEMBL9899468 0.89 HCRTR1 (0.36) HCRTR1HCRTR2
SCHEMBL9899326 0.77 CRHR1 (0.39) HCRTR1HCRTR2
SCHEMBL9899569 0.70 KMT2A (0.38)
SCHEMBL9899437 0.70 HCRTR1 (0.40) SSTR4HCRTR1HCRTR2AGBL2
SCHEMBL9900511 0.69 HCRTR1 (0.37) HCRTR1HCRTR2
SCHEMBL1119706 0.67 HCRTR1 (0.38) HCRTR1HCRTR2
SCHEMBL6519608 0.67 HCRTR1 (0.41) HCRTR1HCRTR2
SCHEMBL6523847 0.67 NPC1 (0.41) HCRTR1HCRTR2
SCHEMBL9928405 0.66 MAPK1 (0.46) HCRTR1HCRTR2
SCHEMBL9928400 0.66 HCRTR1 (0.39) SSTR4HCRTR1HCRTR2

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
EP-2470525-A1 PIPERIDINE DERIVATIVES USED AS OREXIN ANTAGONISTS Glaxo Group Limited (GB) 2012-07-04 EP 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-20120149711-A1 PIPERIDINE DERIVATIVES USED AS OREXIN ANTAGONISTS GLAXO GROUP LIMITED 2012-06-14 US 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-20120149711-A1 PIPERIDINE DERIVATIVES USED AS OREXIN ANTAGONISTS HCRTR2, HCRTR1, OXTR SSTR4 80/4885HCRTR1 2/4885HCRTR2 1/4885

“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.