SCHEMBL867077

SCHEMBL867077

[CH2]CCC(Br)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 5/20 0.39
CES2 O00748 2/20 0.38
CES1 P23141 2/20 0.38
TRPA1 O75762 1/20 0.38
HTR2A P28223 6/20 0.37
TAAR1 Q96RJ0 2/20 0.37
DPP4 P27487 2/20 0.35
F2 P00734 1/20 0.35
TSHR P16473 1/20 0.35
MTOR P42345 1/20 0.34
RAB9A P51151 1/20 0.34
GRM7 Q14831 1/20 0.34

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
SCHEMBL4889343 0.86 HTR2A (0.39) HRH1CES2CES1TRPA1HTR2A
SCHEMBL22042211 0.85 HRH1 (0.46) HRH1CES2CES1TRPA1HTR2A
SCHEMBL4892666 0.82 CES2 (0.42) HRH1CES2CES1TRPA1HTR2A
SCHEMBL22042217 0.80 HRH1 (0.44) HRH1CES2CES1TRPA1HTR2A
SCHEMBL4450297 0.78 HRH1 (0.41) HRH1CES2CES1TRPA1HTR2A
SCHEMBL270397 0.77 HRH1 (0.56) HRH1HTR2ATAAR1
SCHEMBL525687 0.76 TSHR (0.40) HRH1CES2CES1TRPA1HTR2A
SCHEMBL8037602 0.76 TRPA1 (0.48) HRH1CES2CES1TRPA1HTR2A
SCHEMBL687847 0.76 AOC3 (0.46) HRH1CES2CES1TRPA1HTR2A
SCHEMBL13265139 0.76 AOC3 (0.46) HRH1CES2CES1TRPA1HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120077844-A1 USE OF PIPERIDINE DERIVATIVES AS DERMO-DECONTRACTING AGENTS L'OREAL (FR) 2012-03-29 US disclosed
US-20100048624-A1 USE OF PIPERIDINE DERIVATIVES AS DERMO-DECONTRACTING AGENTS L'OREAL (FR) 2010-02-25 US disclosed
US-7629359-B2 Use of piperidine derivatives as dermo-decontracting agents L'OREAL (FR) 2009-12-08 US disclosed
EP-1765281-B1 USE OF PIPERIDINE DERIVATIVES AS DERMO-DECONTRACTING AGENTS OREAL (FR) 2008-08-27 EP disclosed
US-20080194590-A1 4-Piperazinylthieno [2,3-D] Pyrimidine Compounds as Platelet Aggregation Inhibitors PFIZER INC 2008-08-14 US disclosed
US-20070259915-A1 Use of Piperidine Derivatives as Dermo-Decontracting Agents L'OREAL (FR) 2007-11-08 US disclosed
EP-1765281-A1 USE OF PIPERIDINE DERIVATIVES AS DERMO-DECONTRACTING AGENTS L'OREAL (FR) 2007-03-28 EP disclosed
WO-2006003030-A1 USE OF PIPERIDINE DERIVATIVES AS DERMO-DECONTRACTING AGENTS L'OREAL (FR) 2006-01-12 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 (4 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-20120077844-A1 USE OF PIPERIDINE DERIVATIVES AS DERMO-DECONTRACTING AGENTS PLOD3, CUTA, DSTN HRH1 1617/4885CES2 2768/4885CES1 4055/4885
US-20070259915-A1 Use of Piperidine Derivatives as Dermo-Decontracting Agents CUTA, PLOD3, PLIN5 HRH1 1541/4885CES2 2739/4885CES1 4071/4885
US-20080194590-A1 4-Piperazinylthieno [2,3-D] Pyrimidine Compounds as Platelet Aggregation Inhibitors PFKP, PF4, P2RY4 HRH1 582/4885CES2 3286/4885CES1 2626/4885
US-20100048624-A1 USE OF PIPERIDINE DERIVATIVES AS DERMO-DECONTRACTING AGENTS PLOD3, CUTA, DSTN HRH1 1617/4885CES2 2768/4885CES1 4055/4885

“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.