SCHEMBL4205262

SCHEMBL4205262

COC(=O)c1ccc(N(C)C(=O)OC)c([N+](=O)[O-])c1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ VCAM1 P19320 1/20 0.59
▸ HCAR3 P49019 4/20 0.54
▸ HPGD P15428 3/20 0.48
▸ KMT2A Q03164 2/20 0.48
▸ ALDH1A1 P00352 2/20 0.48
▸ NPSR1 Q6W5P4 1/20 0.48
▸ LMNA P02545 1/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ KDM4E B2RXH2 1/20 0.45
▸ GLA P06280 1/20 0.45
▸ PKM P14618 1/20 0.44
▸ ERN1 O75460 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ SMN1; SMN2 Q16637 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
SCHEMBL1110902 0.87 HCAR3 (0.70) VCAM1HCAR3HPGDKMT2AALDH1A1
SCHEMBL11757917 0.81 LMNA (0.54) VCAM1HCAR3KMT2AALDH1A1LMNA
SCHEMBL9248825 0.80 VCAM1 (0.50) VCAM1HCAR3HPGDKMT2AALDH1A1
SCHEMBL9631242 0.80 VCAM1 (0.58) VCAM1HCAR3HPGDKMT2AALDH1A1
SCHEMBL11976724 0.79 VCAM1 (0.57) VCAM1HCAR3HPGDKMT2AALDH1A1
SCHEMBL21250340 0.79 VCAM1 (0.57) VCAM1HCAR3HPGDKMT2AALDH1A1
SCHEMBL5734347 0.79 VCAM1 (0.68) VCAM1HPGDKMT2AALDH1A1NPSR1
SCHEMBL29441708 0.78 VCAM1 (0.53) VCAM1HCAR3HPGDKMT2AALDH1A1
SCHEMBL17086143 0.78 VCAM1 (0.53) VCAM1HCAR3HPGDKMT2AALDH1A1
SCHEMBL3378050 0.78 ALDH1A1 (0.53) HPGDKMT2AALDH1A1NPSR1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090023733-A1 Piperidine Derivatives, Their Process for Preparation, Their Use as Therapeutic Agents and Pharmaceutical Compositions Containing Them ASTRAZENECA AB (SE) 2009-01-22 — — US disclosed
EP-1994002-A1 PIPERIDINE DERIVATIVES, THEIR PROCESS FOR PREPARATION, THEIR USE AS THERAPEUTIC AGENTS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AstraZeneca AB (SE) 2008-11-26 — — EP disclosed
WO-2007102767-A1 PIPERIDINE DERIVATIVES, THEIR PROCESS FOR PREPARATION, THEIR USE AS THERAPEUTIC AGENTS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM ASTRAZENECA AB (SE) 2007-09-13 — — 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-20090023733-A1 Piperidine Derivatives, Their Process for Preparation, Their Use as Therapeutic Agents and Pharmaceutical Compositions Containing Them CCR3, CCR1, CCR5 VCAM1 142/4885HCAR3 71/4885HPGD 805/4885

“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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