SCHEMBL4162437

SCHEMBL4162437

COC(=O)c1ccc2cc(OCC(=O)O)ccc2n1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN7 P35236 1/20 0.54
PDE2A O00408 2/20 0.53
PDE3B Q13370 2/20 0.53
PDE3A Q14432 2/20 0.53
P2RY12 Q9H244 2/20 0.53
MIF P14174 3/20 0.48
KDM4E B2RXH2 4/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
TDP1 Q9NUW8 1/20 0.48
IAPP P10997 1/20 0.47
LMNA P02545 2/20 0.46
PRSS1 P07477 1/20 0.44
PRSS2 P07478 1/20 0.44
PRSS3 P35030 1/20 0.44
MCL1 Q07820 1/20 0.43
ALDH1A1 P00352 2/20 0.43
MAPT P10636 1/20 0.43
NCF1 P14598 1/20 0.42
SCN9A Q15858 2/20 0.42

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
SCHEMBL4176477 0.84 SCN9A (0.44) PDE3BPDE3AP2RY12KDM4EALDH1A1
SCHEMBL21865487 0.83 MEN1 (0.57) KDM4EMEN1KMT2ALMNAALDH1A1
SCHEMBL7342388 0.83 HDAC8 (0.55) KDM4EALDH1A1MAPTNCF1
SCHEMBL2905942 0.82 PDE2A (0.45) PTPN7PDE2APDE3BPDE3AP2RY12
SCHEMBL8184522 0.79 PTPN7 (0.61) PTPN7KDM4EMEN1KMT2ATDP1
SCHEMBL16880740 0.78 HSD17B14 (0.51) KDM4EMEN1KMT2ATDP1ALDH1A1
SCHEMBL2903172 0.78 PTPN7 (0.43) PTPN7PDE2APDE3BPDE3AP2RY12
SCHEMBL23452954 0.77 PTPN7 (0.52) PTPN7PDE2APDE3BPDE3AP2RY12
SCHEMBL4076964 0.77 PTPN7 (0.85) PTPN7PDE2APDE3BPDE3AP2RY12
SCHEMBL21865489 0.77 KDM4E (0.43) KDM4EALDH1A1MAPTNCF1SCN9A

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-20090197914-A1 Piperidine Derivatives, Their Process for Preparation, Their Use as Therapeutic Agents and Pharmaceutical Compositions Containing Them ASTRAZENECA AB (SE) 2009-08-06 US disclosed
EP-1994003-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-2007102768-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-20090197914-A1 Piperidine Derivatives, Their Process for Preparation, Their Use as Therapeutic Agents and Pharmaceutical Compositions Containing Them CCR3, CCR1, CCR4 PTPN7 3707/4885PDE2A 174/4885PDE3B 61/4885

“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.