SCHEMBL2724414

SCHEMBL2724414

C=Cc1ccc(-c2ccc(C(=O)OC)cc2C)cc1[N+](=O)[O-]

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ERN1 O75460 2/20 0.50
▸ VCAM1 P19320 1/20 0.44
▸ ALDH1A1 P00352 3/20 0.43
▸ PKM P14618 1/20 0.43
▸ LMNA P02545 2/20 0.43
▸ MYC P01106 1/20 0.42
▸ MAX P61244 1/20 0.42
▸ SLC2A1 P11166 1/20 0.41
▸ HPGD P15428 3/20 0.40
▸ MAPT P10636 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ POLB P06746 1/20 0.38
▸ PDGFRB P09619 1/20 0.38
▸ FGFR1 P11362 1/20 0.38

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
SCHEMBL11965649 0.85 VCAM1 (0.58) ERN1VCAM1ALDH1A1PKMLMNA
Dimethylamine SCHEMBL9479039 0.83 VCAM1 (0.56) ERN1VCAM1ALDH1A1PKMLMNA
SCHEMBL879847 0.76 ALDH1A1 (0.49) ALDH1A1LMNAHPGDMAPTKDM4E
SCHEMBL29891470 0.75 MAPT (0.59) ALDH1A1LMNAHPGDMAPTKDM4E
Dimethylamine SCHEMBL7140666 0.75 VCAM1 (0.52) ERN1VCAM1ALDH1A1PKMLMNA
SCHEMBL1890677 0.74 TSHR (0.68) VCAM1ALDH1A1PKMLMNAHPGD
SCHEMBL27915358 0.74 GABRA1 (0.34) ERN1ALDH1A1MAPTKDM4E
SCHEMBL28255681 0.74 SLC2A1 (0.63) ERN1ALDH1A1LMNASLC2A1HPGD
SCHEMBL29708208 0.73 VCAM1 (0.59) ERN1VCAM1ALDH1A1PKMLMNA
SCHEMBL192836 0.73 ERN1 (0.62) ERN1VCAM1ALDH1A1PKMLMNA

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-2632269-B1 CYCLIC AMINE SUBSTITUTED OXAZOLIDINONES AS CETP INHIBITORS MERCK SHARP & DOHME (US) 2017-03-15 — — EP disclosed
US-9221834-B2 Cyclic amine substituted oxazolidinone CETP inhibitor MERCK SHARP & DOHME CORP. (US) 2015-12-29 — — US disclosed
US-20130331372-A1 Cyclic Amine Substituted Oxazolidinone CETP Inhibitor MERCK SHARP & DOHME CORP. 2013-12-12 — — US disclosed
EP-2632269-A1 CYCLIC AMINE SUBSTITUTED OXAZOLIDINONE CETP INHIBITOR Merck Sharp & Dohme Corp. (US) 2013-09-04 — — EP disclosed
WO-2012058187-A1 CYCLIC AMINE SUBSTITUTED OXAZOLIDINONE CETP INHIBITOR MERCK SHARP & DOHME CORP. (US) 2012-05-03 — — 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-20130331372-A1 Cyclic Amine Substituted Oxazolidinone CETP Inhibitor CETP, APOB, MTTP ERN1 542/4885VCAM1 1215/4885ALDH1A1 2647/4885

“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