SCHEMBL2474553

SCHEMBL2474553

COC(=O)c1ccc(CN2C(c3ncccc3C)CCCC2c2ncccc2C)c([N+](=O)[O-])c1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.43
ALDH1A1 P00352 4/20 0.41
MAPT P10636 4/20 0.41
KDM4E B2RXH2 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
GSK3B P49841 2/20 0.40
POLB P06746 2/20 0.40
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
GAA P10253 1/20 0.39
OPRK1 P41145 1/20 0.39
VCAM1 P19320 1/20 0.39
RXFP1 Q9HBX9 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
SCHEMBL2474896 0.86 ALOX15 (0.39) HPGDALDH1A1MAPTKDM4EPOLB
SCHEMBL2472903 0.86 ALOX15 (0.39) HPGDALDH1A1MAPTKDM4EPOLB
SCHEMBL2474699 0.85 ALOX15 (0.38) ALDH1A1KDM4EPOLBGAA
SCHEMBL2472347 0.85 KDM4E (0.43) HPGDALDH1A1MAPTKDM4EGAA
SCHEMBL2470444 0.85 ALOX15 (0.38) ALDH1A1KDM4EPOLBGAA
SCHEMBL2475432 0.85 HDAC6 (0.44)
SCHEMBL2474584 0.84 ALOX15 (0.38) ALDH1A1MAPTKDM4EPOLBGAA
SCHEMBL2478212 0.83 DPP4 (0.37) ALDH1A1MAPTKDM4EGAA
SCHEMBL2473410 0.82 KMT2A (0.46) ALDH1A1KDM4ECYP1A2CYP2C9CYP2C19
SCHEMBL8305789 0.82 KMT2A (0.46) ALDH1A1KDM4ECYP1A2CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2664617-A1 Method of making a 2,6-diaryl piperidine derivative Genzyme Corporation (US) 2013-11-20 EP disclosed
EP-1615633-B1 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS WITH ENHANCED EFFICACY GENZYME CORP (US) 2012-08-15 EP disclosed
EP-2374804-A1 Chemokine receptor binding heterocyclic compounds with enhanced efficacy Genzyme Corporation (US) 2011-10-12 EP disclosed
US-7550484-B2 Chemokine receptor binding heterocyclic compounds with enhanced efficacy GENZYME CORPORATION (US) 2009-06-23 US disclosed
US-7501518-B2 Methods of making 2,6-diaryl piperidine derivatives GENZYME CORPORATION (US) 2009-03-10 US disclosed
US-20050154201-A1 Methods of making 2,6-diaryl piperidine derivatives ANORMED CORPORATION (CA) 2005-07-14 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-20050154201-A1 Methods of making 2,6-diaryl piperidine derivatives ALDH7A1, DPYD, ALDH1A1 HPGD 67/4885ALDH1A1 3/4885MAPT 3937/4885

“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.