SCHEMBL9928405

SCHEMBL9928405

C[C@H]1CC[C@@H](CNc2cc(C(F)(F)F)ccn2)NC1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.46
MAP3K12 Q12852 9/20 0.41
HCRTR1 O43613 1/20 0.40
HCRTR2 O43614 1/20 0.40
SYK P43405 2/20 0.39
IL1B P01584 5/20 0.39
DLK1 P80370 1/20 0.39
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL6523847 0.82 NPC1 (0.41) HCRTR1HCRTR2IL1B
SCHEMBL9900511 0.78 HCRTR1 (0.37) HCRTR1HCRTR2
SCHEMBL9898617 0.76 IL1B (0.42) HCRTR1HCRTR2IL1B
Hydrochloric Acid SCHEMBL31372587 0.74 MAPK1 (0.42) MAPK1MAP3K12HCRTR1HCRTR2SYK
Hydrochloric Acid SCHEMBL31372682 0.74 MAPK1 (0.42) MAPK1MAP3K12HCRTR1HCRTR2SYK
SCHEMBL9899326 0.73 CRHR1 (0.39) HCRTR1HCRTR2
SCHEMBL9898085 0.71 SYK (0.45) MAPK1MAP3K12HCRTR1HCRTR2SYK
SCHEMBL18466168 0.71 IL1B (0.46) MAPK1MAP3K12IL1B
SCHEMBL6519608 0.70 HCRTR1 (0.41) MAPK1HCRTR1HCRTR2ALDH1A1GAA
SCHEMBL1119706 0.70 HCRTR1 (0.38) HCRTR1HCRTR2ALDH1A1

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-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 MAPK1 2970/4885MAP3K12 3655/4885HCRTR1 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.