SCHEMBL948457

SCHEMBL948457

O=C(O)N(c1ccc(C(F)(F)F)cc1)C1CCCNC1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 7/20 0.48
SLC6A2 P23975 5/20 0.48
SLC6A3 Q01959 4/20 0.48
KCNH2 Q12809 3/20 0.42
TACR1 P25103 2/20 0.41
MLYCD O95822 1/20 0.41
CACNA2D1 P54289 1/20 0.39
HTR2A P28223 1/20 0.39
CYP2D6 P10635 1/20 0.39
CDK2AP1 O14519 1/20 0.39
CHEK1 O14757 1/20 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
SCHEMBL949410 1.00 SLC6A4 (0.48) SLC6A4SLC6A2SLC6A3KCNH2TACR1
SCHEMBL948455 1.00 SLC6A4 (0.48) SLC6A4SLC6A2SLC6A3KCNH2TACR1
SCHEMBL949634 0.86 SLC6A4 (0.44) SLC6A4SLC6A2SLC6A3KCNH2TACR1
SCHEMBL948515 0.86 SLC6A4 (0.44) SLC6A4SLC6A2SLC6A3KCNH2TACR1
SCHEMBL948516 0.86 SLC6A4 (0.44) SLC6A4SLC6A2SLC6A3KCNH2TACR1
SCHEMBL948777 0.83 CHRM2 (0.44) SLC6A4SLC6A2SLC6A3KCNH2CACNA2D1
SCHEMBL949251 0.83 CHRM2 (0.44) SLC6A4SLC6A2SLC6A3KCNH2CACNA2D1
SCHEMBL17440453 0.83 RPLP1 (0.44) SLC6A4SLC6A2SLC6A3KCNH2CACNA2D1
SCHEMBL948779 0.83 CHRM2 (0.44) SLC6A4SLC6A2SLC6A3KCNH2CACNA2D1
SCHEMBL9428898 0.83 SLC6A4 (0.41) SLC6A4SLC6A2SLC6A3KCNH2TACR1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110021569-A1 Piperidine compounds, a process for their preparation and pharmaceutical compositions containing them LES LABORATOIRES SERVIER, UNIVERSITE (FR) 2011-01-27 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-20110021569-A1 Piperidine compounds, a process for their preparation and pharmaceutical compositions containing them BDNF, GRIN2C, GRIN2A SLC6A4 1548/4885SLC6A2 1824/4885SLC6A3 923/4885

“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.