SCHEMBL5199577

SCHEMBL5199577

CC(C)(C)OC(=O)NC1CCN(C(=O)Oc2ccc([N+](=O)[O-])cc2)CC1

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.56
▸ CYP2D6 P10635 1/20 0.56
▸ ALDH1A1 P00352 1/20 0.51
▸ LMNA P02545 1/20 0.51
▸ MAPT P10636 1/20 0.51
▸ DRD2 P14416 1/20 0.50
▸ MGLL Q99685 3/20 0.48
▸ FAAH O00519 1/20 0.48

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
SCHEMBL5198496 0.91 ALDH1A1 (0.57) CYP1A2CYP2D6ALDH1A1LMNAMAPT
SCHEMBL29082481 0.89 CYP1A2 (0.47) CYP1A2CYP2D6ALDH1A1LMNAMAPT
SCHEMBL29157993 0.86 DRD2 (0.52) ALDH1A1DRD2MGLL
SCHEMBL29931283 0.85 ALDH1A1 (0.52) CYP1A2CYP2D6ALDH1A1LMNAMAPT
SCHEMBL29067082 0.84 EPHX2 (0.59) ALDH1A1LMNADRD2MGLL
SCHEMBL392783 0.82 ALDH1A1 (0.72) CYP1A2CYP2D6ALDH1A1LMNAMAPT
SCHEMBL1815044 0.82 MAPT (0.61) ALDH1A1LMNAMAPTDRD2
SCHEMBL5200907 0.81 KMT2A (0.57) CYP1A2CYP2D6ALDH1A1LMNAMAPT
SCHEMBL14069461 0.81 EPHX2 (0.50) CYP1A2CYP2D6ALDH1A1DRD2MGLL
SCHEMBL31114636 0.80 EPHX2 (0.57) ALDH1A1LMNAMAPTDRD2

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
EP-1790636-A1 PIPERIDINE DERIVATIVES AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2007-05-30 — — EP disclosed
US-20060142337-A1 Piperidine derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-06-29 — — 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-20060142337-A1 Piperidine derivative and use thereof AR, AHR, ARNT CYP1A2 104/4885CYP2D6 252/4885ALDH1A1 26/4885

“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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