SCHEMBL4634263

SCHEMBL4634263

NC(=O)Nc1cc(Cl)ccc1OCC(=O)N1CCC(C(=O)c2ccc(Cl)cc2)CC1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
ALDH1A1 P00352 1/20 0.51
CCR1 P32246 2/20 0.50
FPR3 P25089 1/20 0.50
GPR65 Q8IYL9 1/20 0.50
GPR35 Q9HC97 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
MGLL Q99685 7/20 0.48
HTT P42858 1/20 0.47
GAA P10253 1/20 0.47
HPGD P15428 1/20 0.47
TSHR P16473 1/20 0.47
MAPT P10636 1/20 0.47
ALOX12 P18054 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47

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
SCHEMBL4633997 0.94 MGLL (0.51) MEN1KMT2AALDH1A1CCR1FPR3
SCHEMBL4634297 0.94 CCR1 (0.58) MEN1KMT2AALDH1A1CCR1FPR3
SCHEMBL4633758 0.85 ALDH1A1 (0.49) MEN1KMT2AALDH1A1CCR1FPR3
SCHEMBL4634938 0.84 ALDH1A1 (0.50) MEN1KMT2AALDH1A1CCR1FPR3
SCHEMBL4634717 0.83 ALDH1A1 (0.47) MEN1KMT2AALDH1A1CCR1FPR3
SCHEMBL5674717 0.82 ALDH1A1 (0.51) MEN1KMT2AALDH1A1CCR1FPR3
SCHEMBL5674687 0.81 CCR1 (0.47) MEN1KMT2AALDH1A1CCR1FPR3
SCHEMBL4634678 0.81 GAA (0.55) MEN1KMT2AALDH1A1CCR1FPR3
SCHEMBL4634607 0.80 CCR1 (0.46) MEN1KMT2AALDH1A1CCR1FPR3
SCHEMBL4634837 0.79 HSD11B1 (0.54) MEN1KMT2AALDH1A1SMN1; SMN2MGLL

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-1928829-A1 PIPERIDINE DERIVATIVES AS ANTAGONISTS OF THE CC CHEMOKINE RECEPTOR CCR1 AND THEIR USE AS ANTI-INFLAMMATORY AGENTS Schering Aktiengesellschaft (DE) 2008-06-11 EP claimed
US-20060167044-A1 Piperidine derivatives and their use as anti-inflammatory agents BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2006-07-27 US claimed
WO-2006066948-A1 PIPERIDINE DERIVATIVES AS ANTAGONISTS OF THE CC CHEMOKINE RECEPTOR CCR1 AND THEIR USE AS ANTI-INFLAMMATORY AGENTS SCHERING AKTIENGESELLSCHAFT (DE) 2006-06-29 WO claimed
EP-1928829-A1 PIPERIDINE DERIVATIVES AS ANTAGONISTS OF THE CC CHEMOKINE RECEPTOR CCR1 AND THEIR USE AS ANTI-INFLAMMATORY AGENTS Schering Aktiengesellschaft (DE) 2008-06-11 EP disclosed
US-20060167044-A1 Piperidine derivatives and their use as anti-inflammatory agents BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2006-07-27 US disclosed
WO-2006066948-A1 PIPERIDINE DERIVATIVES AS ANTAGONISTS OF THE CC CHEMOKINE RECEPTOR CCR1 AND THEIR USE AS ANTI-INFLAMMATORY AGENTS SCHERING AKTIENGESELLSCHAFT (DE) 2006-06-29 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-20060167044-A1 Piperidine derivatives and their use as anti-inflammatory agents CCR1, CCR2, CCR3 MEN1 4827/4885KMT2A 4584/4885ALDH1A1 296/4885

“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.