SCHEMBL2408874

SCHEMBL2408874

C[C@@H](CO)COCc1ccc(Br)cc1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.42
MAOB P27338 5/20 0.38
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
APP P05067 1/20 0.36
RXRA P19793 1/20 0.36
RXRB P28702 1/20 0.36
EPHX1 P07099 1/20 0.36
HPGD P15428 2/20 0.36
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
HTT P42858 1/20 0.35
CA7 P43166 1/20 0.35
CA9 Q16790 1/20 0.35
KMT2A Q03164 2/20 0.35
MAOA P21397 2/20 0.35

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
SCHEMBL2408881 1.00 IDO1 (0.42) IDO1MAOBCA1CA2APP
SCHEMBL12361734 0.84 AGXT (0.44) MAOBCA1CA2HPGDHTT
SCHEMBL1013889 0.82 IDO1 (0.42) IDO1MAOBCA1CA2APP
SCHEMBL556155 0.82 IDO1 (0.42) IDO1MAOBCA1CA2APP
SCHEMBL149042 0.81 CA1 (0.53) CA1CA2KDM4EHTTCA7
SCHEMBL4909693 0.81 CA1 (0.53) CA1CA2KDM4EHTTCA7
SCHEMBL4545487 0.81 CA1 (0.53) CA1CA2KDM4EHTTCA7
SCHEMBL2405469 0.81 IDO1 (0.45) IDO1MAOBCA1CA2APP
SCHEMBL2405472 0.81 IDO1 (0.45) IDO1MAOBCA1CA2APP
SCHEMBL18843235 0.81 CA1 (0.59) IDO1CA1CA2APPHTT

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-20110212950-A1 4,4-DISUBSTITUTED PIPERIDINES NOVARTIS AG (CH) 2011-09-01 US disclosed
EP-2212317-A1 4,4-DISUBSTITUTED PIPERIDINES Novartis AG (CH) 2010-08-04 EP disclosed
WO-2009053452-A1 4,4-DISUBSTITUTED PIPERIDINES NOVARTIS AG (CH) 2009-04-30 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-20110212950-A1 4,4-DISUBSTITUTED PIPERIDINES REN, AGTR2, AVPR2 IDO1 3753/4885MAOB 891/4885CA1 4238/4885

“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.