SCHEMBL12449442

SCHEMBL12449442

O=C(O)CCC(=O)c1ccc2c(c1)CCC1(CCN(C(=O)C(F)(F)F)CC1)O2

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 4/20 0.48
▸ CYP2C9 P11712 1/20 0.48
▸ EPHX1 P07099 1/20 0.47
▸ DRD2 P14416 1/20 0.46
▸ HTR2A P28223 1/20 0.46
▸ HTR2C P28335 1/20 0.46
▸ TRPM8 Q7Z2W7 3/20 0.45
▸ GPR119 Q8TDV5 7/20 0.45
▸ PKM P14618 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.40
▸ CTNNB1 P35222 2/20 0.40
▸ WNT3A P56704 2/20 0.40

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
SCHEMBL2346305 0.87 EPHX2 (0.52) EPHX2CYP2C9EPHX1DRD2HTR2A
SCHEMBL2341136 0.79 EPHX2 (0.43) EPHX2CYP2C9EPHX1DRD2HTR2A
SCHEMBL5418547 0.79 ESR1 (0.50) PKMTSHRCTNNB1WNT3A
SCHEMBL12449918 0.79 KMT2A (0.44) EPHX2CYP2C9EPHX1DRD2HTR2A
SCHEMBL2345904 0.76 EPHX2 (0.67) EPHX2CYP2C9EPHX1DRD2HTR2A
SCHEMBL12449730 0.75 EPHX2 (0.44) EPHX2CYP2C9EPHX1DRD2HTR2A
SCHEMBL5418343 0.74 ESR1 (0.61) PKMTSHRCTNNB1WNT3A
SCHEMBL5423715 0.74 ESR1 (0.46) PKMTSHRALDH1A1
SCHEMBL5419441 0.73 ESR1 (0.52) PKMTSHRALDH1A1CTNNB1WNT3A
SCHEMBL18153931 0.71 EPHX2 (0.48) EPHX2CYP2C9EPHX1DRD2HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130310389-A1 SUBSTITUTED SPIROCYCLIC PIPERIDINE DERIVATIVES AS HISTAMINE-3 (H3) RECEPTOR LIGANDS CEPHALON, INC. (US) 2013-11-21 — — US disclosed
US-8524713-B2 Substituted spirocyclic piperidine derivatives as histamine-3 (H3) receptor ligands CEPHALON, INC (US) 2013-09-03 — — US disclosed
US-8524713-B2 Substituted spirocyclic piperidine derivatives as histamine-3 (H3) receptor ligands CEPHALON, INC (US) 2013-09-03 — — US disclosed
EP-2257553-B1 SUBSTITUTED SPIROCYCLIC PIPERIDINE DERIVATIVES AS HISTAMINE-3 (H3) RECEPTOR LIGANDS CEPHALON INC (US) 2011-08-31 — — EP disclosed
US-20100298332-A1 Substituted Spirocyclic Piperidine Derivatives as Histamine-3 (H3) Receptor Ligands CEPHALON, INC. (US) 2010-11-25 — — US disclosed
US-20100298332-A1 Substituted Spirocyclic Piperidine Derivatives as Histamine-3 (H3) Receptor Ligands CEPHALON, INC. (US) 2010-11-25 — — US disclosed
WO-2009097309-A1 SUBSTITUTED SPIROCYCLIC PIPERIDINE DERIVATIVES AS HISTAMINE-3 (H3) RECEPTOR LIGANDS CEPHALON, INC. (US) 2009-08-06 — — 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-20100298332-A1 Substituted Spirocyclic Piperidine Derivatives as Histamine-3 (H3) Receptor Ligands HRH3, HRH4, HRH2 EPHX2 1028/4885CYP2C9 2368/4885EPHX1 902/4885
US-20130310389-A1 SUBSTITUTED SPIROCYCLIC PIPERIDINE DERIVATIVES AS HISTAMINE-3 (H3) RECEPTOR LIGANDS HRH3, HRH4, HRH2 EPHX2 1736/4885CYP2C9 2506/4885EPHX1 792/4885

“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.

Send feedback