SCHEMBL949251

SCHEMBL949251

O=C(O)N(c1ccc(Br)cc1)[C@H]1CCCNC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 5/20 0.44
CHRM3 P20309 5/20 0.44
KCNH2 Q12809 8/20 0.43
SLC6A2 P23975 5/20 0.43
SLC6A4 P31645 5/20 0.43
SLC6A3 Q01959 5/20 0.43
CYP2D6 P10635 1/20 0.40
HRH3 Q9Y5N1 1/20 0.39
RPLP1 P05386 5/20 0.38
RPLP0 P05388 5/20 0.38
RPS17 P08708 5/20 0.38
RPSA P08865 5/20 0.38
RPS2 P15880 5/20 0.38
RPL35A P18077 5/20 0.38
RPL7 P18124 5/20 0.38
RPL17 P18621 5/20 0.38
RPS4Y1 P22090 5/20 0.38
RPS3 P23396 5/20 0.38
RPS12 P25398 5/20 0.38
RPL13 P26373 5/20 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
SCHEMBL948779 1.00 CHRM2 (0.44) CHRM2CHRM3KCNH2SLC6A2SLC6A4
SCHEMBL948777 1.00 CHRM2 (0.44) CHRM2CHRM3KCNH2SLC6A2SLC6A4
SCHEMBL949634 0.86 SLC6A4 (0.44) KCNH2SLC6A2SLC6A4SLC6A3CYP2D6
SCHEMBL948516 0.86 SLC6A4 (0.44) KCNH2SLC6A2SLC6A4SLC6A3CYP2D6
SCHEMBL948515 0.86 SLC6A4 (0.44) KCNH2SLC6A2SLC6A4SLC6A3CYP2D6
SCHEMBL949410 0.83 SLC6A4 (0.48) KCNH2SLC6A2SLC6A4SLC6A3CYP2D6
SCHEMBL948457 0.83 SLC6A4 (0.48) KCNH2SLC6A2SLC6A4SLC6A3CYP2D6
SCHEMBL948455 0.83 SLC6A4 (0.48) KCNH2SLC6A2SLC6A4SLC6A3CYP2D6
SCHEMBL17440453 0.83 RPLP1 (0.44) KCNH2SLC6A2SLC6A4SLC6A3CYP2D6
SCHEMBL12614459 0.80 CHRM3 (0.52) CHRM2CHRM3KCNH2HRH3MEN1

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 CHRM2 22/4885CHRM3 96/4885KCNH2 816/4885

“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.