SCHEMBL17239284

SCHEMBL17239284

O=C(O)N1CCC(F)(F)[C@@H](O)C1

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.33
CHRNB2 P17787 1/20 0.31
CHRNA3 P32297 1/20 0.31
CHRNA4 P43681 1/20 0.31
CHRNB3 Q05901 1/20 0.31
CHRNA6 Q15825 1/20 0.31
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
USP2 O75604 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
CYP3A4 P08684 1/20 0.30
HPGD P15428 1/20 0.30
KMT2A Q03164 1/20 0.30
HSD17B10 Q99714 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL15882153 1.00 SCN9A (0.33) SCN9ACHRNB2CHRNA3CHRNA4CHRNB3
SCHEMBL27143501 0.79 CHRNB2 (0.32) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL27191329 0.79 CHRNB2 (0.32) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL15719047 0.79 CHRNB2 (0.32) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL23163328 0.78 DPP4 (0.31) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL28851211 0.78 DPP4 (0.31) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL21358933 0.78 KDM4E (0.33) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL29160968 0.78 NAMPT (0.34) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL19437321 0.76
SCHEMBL19437421 0.74 CHRM2 (0.33)

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-9550786-B2 4-fluoropiperidine orexin receptor antagonists MERCK SHARP & DOHME CORP. (US) 2017-01-24 US disclosed
US-20150322074-A1 4-FLUOROPIPERIDINE OREXIN RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2015-11-12 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-20150322074-A1 4-FLUOROPIPERIDINE OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, NPY4R SCN9A 2954/4885CHRNB2 338/4885CHRNA3 173/4885

“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.