SCHEMBL1222305

SCHEMBL1222305

CCCCC(C(=O)OC1CC[N+](C)(C)CC1)c1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 6/20 0.64
BLM P54132 5/20 0.64
CHRM1 P11229 5/20 0.64
CHRM3 P20309 5/20 0.64
PMP22 Q01453 4/20 0.64
CHRM4 P08173 4/20 0.64
CHRM5 P08912 4/20 0.64
LMNA P02545 3/20 0.64
MEN1 O00255 3/20 0.64
KMT2A Q03164 3/20 0.64
THRB P10828 2/20 0.64
CYP2D6 P10635 2/20 0.64
CYP1A2 P05177 1/20 0.64
CYP2C9 P11712 1/20 0.64
MTOR P42345 1/20 0.64
HSD17B10 Q99714 1/20 0.64
TSHR P16473 2/20 0.50
KCNH2 Q12809 1/20 0.50
PABPC1 P11940 1/20 0.50
CYP2C19 P33261 1/20 0.49

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
Bromide SCHEMBL14237581 0.84 CHRM3 (0.50) CHRM2BLMCHRM1CHRM3PMP22
SCHEMBL10516659 0.79 GAA (0.46) CHRM2BLMCHRM1CHRM3PMP22
SCHEMBL2730650 0.79 CHRM3 (1.00) CHRM2BLMCHRM1CHRM3PMP22
Iodide SCHEMBL3987354 0.78 CHRM3 (1.00) CHRM2BLMCHRM1CHRM3PMP22
SCHEMBL10868246 0.77 POLB (0.48) LMNAMEN1KMT2ASMN1; SMN2
Pentapiperium SCHEMBL1222217 0.77 CHRM3 (0.66) CHRM2BLMCHRM1CHRM3PMP22
Pentapiperium SCHEMBL454024 0.76 CHRM3 (0.64) CHRM2BLMCHRM1CHRM3PMP22
SCHEMBL4206097 0.74 MMP8 (0.50) MEN1KMT2ASMN1; SMN2
SCHEMBL11871815 0.74 POLB (0.48) CHRM1LMNASMN1; SMN2
SCHEMBL2288351 0.74 KMT2A (0.53) LMNAKMT2ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8633225-B2 Piperidinium compounds and cosmetic compositions containing them BEIERSDORF AG (DE) 2014-01-21 US claimed
EP-2032118-A1 PIPERIDINIUM COMPOUNDS AND COSMETIC COMPOSITIONS CONTAINING THEM Beiersdorf AG (DE) 2009-03-11 EP claimed
US-20070292375-A1 Piperidinium compounds and cosmetic compositions containing them BEIERSDORF AG (DE) 2007-12-20 US claimed
WO-2007141289-A1 PIPERIDINIUM COMPOUNDS AND COSMETIC COMPOSITIONS CONTAINING THEM BEIERSDORF AG (DE) 2007-12-13 WO claimed
US-8633225-B2 Piperidinium compounds and cosmetic compositions containing them BEIERSDORF AG (DE) 2014-01-21 US disclosed
US-20110044923-A1 PIPERIDINIUM COMPOUNDS AND COSMETIC COMPOSITIONS CONTAINING THEM BEIERSDORF AG (DE) 2011-02-24 US disclosed
US-7851633-B2 Piperidinium compounds and cosmetic compositions containing them BEIERSDORF AG (DE) 2010-12-14 US disclosed
EP-2032118-A1 PIPERIDINIUM COMPOUNDS AND COSMETIC COMPOSITIONS CONTAINING THEM Beiersdorf AG (DE) 2009-03-11 EP disclosed
US-20070292375-A1 Piperidinium compounds and cosmetic compositions containing them BEIERSDORF AG (DE) 2007-12-20 US disclosed
WO-2007141289-A1 PIPERIDINIUM COMPOUNDS AND COSMETIC COMPOSITIONS CONTAINING THEM BEIERSDORF AG (DE) 2007-12-13 WO 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 (2 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-20070292375-A1 Piperidinium compounds and cosmetic compositions containing them CUTA, DPM1, TRPA1 CHRM2 1587/4885BLM 4818/4885CHRM1 1184/4885
US-20110044923-A1 PIPERIDINIUM COMPOUNDS AND COSMETIC COMPOSITIONS CONTAINING THEM CUTA, DPM1, TRPA1 CHRM2 1587/4885BLM 4818/4885CHRM1 1184/4885

“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.