SCHEMBL3639722

SCHEMBL3639722

O=C(Cc1ccccc1)CC1CCN(CCN(c2ccccc2)c2ccccc2)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 6/20 0.52
▸ OPRD1 P41143 2/20 0.49
▸ OPRK1 P41145 2/20 0.49
▸ KCNH2 Q12809 1/20 0.48
▸ GRIN2D O15399 1/20 0.47
▸ GRIN3B O60391 1/20 0.47
▸ ADRA1D P25100 1/20 0.47
▸ ADRA1A P35348 1/20 0.47
▸ ADRA1B P35368 1/20 0.47
▸ GRIN1 Q05586 1/20 0.47
▸ GRIN2A Q12879 1/20 0.47
▸ GRIN2B Q13224 1/20 0.47
▸ GRIN2C Q14957 1/20 0.47
▸ GRIN3A Q8TCU5 1/20 0.47
▸ ACHE P22303 3/20 0.46
▸ CHRM2 P08172 1/20 0.45
▸ CHRM3 P20309 1/20 0.45
▸ DRD2 P14416 1/20 0.45
▸ DRD4 P21917 1/20 0.45
▸ SIGMAR1 Q99720 1/20 0.44

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
SCHEMBL4251847 0.85 OPRM1 (0.51) OPRM1ACHE
Hydrochloric Acid SCHEMBL3639509 0.84 OPRM1 (0.50) OPRM1
SCHEMBL13930669 0.82 NPC1 (0.57) OPRM1KCNH2ACHE
SCHEMBL13960673 0.81 OPRM1 (0.40) OPRM1OPRD1OPRK1KCNH2
SCHEMBL13930639 0.81 OPRM1 (0.56) OPRM1OPRD1OPRK1KCNH2ADRA1A
SCHEMBL13930628 0.80 OPRM1 (0.52) OPRM1OPRD1OPRK1KCNH2ADRA1A
SCHEMBL3636812 0.80 LTA4H (0.50) OPRM1ACHEDRD2DRD4
SCHEMBL7501904 0.80 DRD2 (0.63) ACHEDRD2DRD4SIGMAR1
SCHEMBL13930608 0.79 EPHX2 (0.56) OPRM1
SCHEMBL3635699 0.77 OPRM1 (0.49) OPRM1ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2164491-A1 PIPERIDINE-4-ACETIC ACID DERIVATIVES AND THEIR USE Euroscreen S.A. (BE) 2010-03-24 — — EP disclosed
US-20090048291-A1 Novel Piperidine-4-Acetic Acid Derivatives and Their Use EUROSCREEN S.A. (BE) 2009-02-19 — — US disclosed
US-20090048291-A1 Novel Piperidine-4-Acetic Acid Derivatives and Their Use EUROSCREEN S.A. (BE) 2009-02-19 — — US disclosed
US-20090048291-A1 Novel Piperidine-4-Acetic Acid Derivatives and Their Use EUROSCREEN S.A. (BE) 2009-02-19 — — US disclosed
WO-2009010477-A1 PIPERIDINE-4-ACETIC ACID DERIVATIVES AND THEIR USE EUROSCREEN S.A. (BE) 2009-01-22 — — 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 (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-20090048291-A1 Novel Piperidine-4-Acetic Acid Derivatives and Their Use ALDH1A1, ABAT, ALDH18A1 OPRM1 202/4885OPRD1 69/4885OPRK1 228/4885

“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.

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