SCHEMBL9895811

SCHEMBL9895811

C[C@H]1CC[C@@H](COc2ccc(C(F)(F)F)cn2)NC1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LIPE Q05469 4/20 0.41
LTA4H P09960 1/20 0.40
HPGD P15428 1/20 0.40
GABRA5 P31644 1/20 0.38
MAPK1 P28482 1/20 0.38
HCRTR1 O43613 1/20 0.38
TSHR P16473 1/20 0.38
SMN1; SMN2 Q16637 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
SCHEMBL22761804 0.81 LTA4H (0.57) LTA4H
SCHEMBL10121582 0.79 HPGD (0.38) LIPELTA4HHPGDGABRA5MAPK1
SCHEMBL6523847 0.77 NPC1 (0.41) HCRTR1
SCHEMBL19207136 0.73 HPGD (0.38) LIPEHPGDGABRA5MAPK1HCRTR1
SCHEMBL31424098 0.72 LIPE (0.35) LIPE
SCHEMBL21606958 0.72 EP300 (0.51) LIPE
SCHEMBL31424097 0.72 LIPE (0.35) LIPE
SCHEMBL20774314 0.72 HCRTR1 (0.41) LIPEHPGDGABRA5MAPK1HCRTR1
SCHEMBL9900511 0.72 HCRTR1 (0.37) HCRTR1
SCHEMBL15229796 0.72 LTA4H (0.39) LIPELTA4HHPGDHCRTR1

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-2470523-A1 5-METHYL-PIPERIDINE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS FOR THE TREATMENT OF SLEEP DISORDER Glaxo Group Limited (GB) 2012-07-04 EP disclosed
US-20120149723-A1 5-METHYL-PIPERIDINE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS FOR THE TREATMENT OF SLEEP DISORDER GLAXO GROUP LIMITED (GB) 2012-06-14 US disclosed
US-20120149723-A1 5-METHYL-PIPERIDINE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS FOR THE TREATMENT OF SLEEP DISORDER GLAXO GROUP LIMITED (GB) 2012-06-14 US disclosed
US-20120149723-A1 5-METHYL-PIPERIDINE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS FOR THE TREATMENT OF SLEEP DISORDER GLAXO GROUP LIMITED (GB) 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-20120149723-A1 5-METHYL-PIPERIDINE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS FOR THE TREATMENT OF SLEEP DISORDER HCRTR2, HCRTR1, HTR5A LIPE 2454/4885LTA4H 1392/4885HPGD 1569/4885

“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.