SCHEMBL13930628

SCHEMBL13930628

CN(C(=O)CC1CCN(CCN(c2ccccc2)c2ccccc2)CC1)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 9/20 0.52
▸ ACHE P22303 3/20 0.44
▸ HRH3 Q9Y5N1 1/20 0.43
▸ SIGMAR1 Q99720 2/20 0.43
▸ SLC22A1 O15245 1/20 0.43
▸ NR1I2 O75469 1/20 0.43
▸ ABCB1 P08183 1/20 0.43
▸ CHRM1 P11229 1/20 0.43
▸ DRD2 P14416 1/20 0.43
▸ ADRA2B P18089 1/20 0.43
▸ ADRA2C P18825 1/20 0.43
▸ CHRM3 P20309 1/20 0.43
▸ MAOA P21397 1/20 0.43
▸ DRD4 P21917 1/20 0.43
▸ MAOB P27338 1/20 0.43
▸ ADRA1A P35348 1/20 0.43
▸ HRH1 P35367 1/20 0.43
▸ ADRA1B P35368 1/20 0.43
▸ DRD3 P35462 1/20 0.43
▸ OPRD1 P41143 1/20 0.43

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
SCHEMBL3635699 0.87 OPRM1 (0.49) OPRM1ACHEHRH3
SCHEMBL13930639 0.86 OPRM1 (0.56) OPRM1ACHEHRH3SIGMAR1SLC22A1
SCHEMBL4251847 0.85 OPRM1 (0.51) OPRM1ACHE
Hydrochloric Acid SCHEMBL3639509 0.84 OPRM1 (0.50) OPRM1
SCHEMBL3636812 0.82 LTA4H (0.50) OPRM1ACHEDRD2DRD4
SCHEMBL7002742 0.81 KMT2A (0.49) MAOADRD4
SCHEMBL3639722 0.80 OPRM1 (0.52) OPRM1ACHESIGMAR1DRD2CHRM3
SCHEMBL13930608 0.79 EPHX2 (0.56) OPRM1
SCHEMBL13930669 0.77 NPC1 (0.57) OPRM1ACHEKCNH2
SCHEMBL3931152 0.77 LTA4H (0.50) OPRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 202/4885ACHE 813/4885HRH3 846/4885

“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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