SCHEMBL4196849

SCHEMBL4196849

COC(=O)c1ccc(-c2noc(CCC(=O)O)n2)nc1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.55
ATM Q13315 1/20 0.55
MITF O75030 1/20 0.53
TP53 P04637 1/20 0.53
NCOA3 Q9Y6Q9 1/20 0.53
HCAR2 Q8TDS4 7/20 0.49
CYP2C9 P11712 1/20 0.49
TSHR P16473 1/20 0.49
MCL1 Q07820 1/20 0.47
FFAR1 O14842 1/20 0.45
ALDH1A1 P00352 2/20 0.44
HPGD P15428 2/20 0.44
CYP3A4 P08684 1/20 0.44
KDM4E B2RXH2 1/20 0.44
MAPK1 P28482 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
FAAH O00519 1/20 0.44

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
SCHEMBL4201086 0.88 TP53 (0.57) LMNAATMMITFTP53NCOA3
SCHEMBL10312532 0.83 MITF (0.54) LMNAATMMITFTP53NCOA3
SCHEMBL13781596 0.81 HCAR2 (0.65) LMNAATMMITFTP53NCOA3
SCHEMBL4548481 0.80 HCAR2 (0.62) LMNAATMMITFTP53NCOA3
SCHEMBL4192570 0.80 TSHR (0.53) LMNAATMMITFTP53NCOA3
SCHEMBL1568004 0.79 LMNA (0.65) LMNAATMMITFTP53NCOA3
SCHEMBL4556040 0.77 HCAR2 (0.61) HCAR2CYP2C9
SCHEMBL10312533 0.77 MAPT (0.48) LMNAATMHCAR2CYP2C9TSHR
SCHEMBL4548484 0.76 HCAR2 (0.58) LMNAATMHCAR2CYP2C9ALDH1A1
SCHEMBL1483898 0.76 HCAR2 (0.52) LMNAMITFTP53NCOA3HCAR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101437796-A Piperidine derivatives, their process for preparation, their use as therapeutic agents and pharmaceutical compositions containing them ASTRAZENECA AB (SE) 2009-05-20 CN disclosed
US-20090012125-A1 Piperidine Derivatives, Their Process for Preparation, Their Use as Therapeutic Agents and Pharmaceutical Compositions Containing Them CAGE PETER 2009-01-08 US disclosed
EP-1996551-A2 PIPERIDINE DERIVATIVES, THEIR PROCESS FOR PREPARATION, THEIR USE AS THERAPEUTIC AGENTS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM. AstraZeneca AB (SE) 2008-12-03 EP disclosed
WO-2007102769-A2 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-20090012125-A1 Piperidine Derivatives, Their Process for Preparation, Their Use as Therapeutic Agents and Pharmaceutical Compositions Containing Them CCR3, CCR1, CCR5 LMNA 3005/4885ATM 4251/4885MITF 1948/4885

“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.