SCHEMBL4634288

SCHEMBL4634288

O=C(O)Cc1cc(Br)ccc1OCC(=O)N1CCC(O)(Cc2ccc(F)cc2)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 1/20 0.44
CCR5 P51681 1/20 0.44
RECQL P46063 1/20 0.43
PTGDR2 Q9Y5Y4 2/20 0.43
MAPK1 P28482 1/20 0.43
HSD17B10 Q99714 1/20 0.43
ALDH1A1 P00352 3/20 0.43
HPGD P15428 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
KDM4E B2RXH2 2/20 0.43
POLB P06746 1/20 0.43
PKM P14618 1/20 0.43
KMT2A Q03164 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
SSTR5 P35346 1/20 0.41
CYP46A1 Q9Y6A2 1/20 0.40
PTGER1 P34995 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MAPT P10636 1/20 0.39

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
SCHEMBL4635908 0.90 CCR5 (0.44) CCR1CCR5RECQLMAPK1HSD17B10
SCHEMBL4634684 0.90 CCR1 (0.43) CCR1CCR5RECQLPTGDR2MAPK1
SCHEMBL4634364 0.87 PTGDR2 (0.43) CCR1CCR5RECQLPTGDR2MAPK1
SCHEMBL4634981 0.86 CCR1 (0.40) CCR1CCR5RECQLPTGDR2MAPK1
SCHEMBL4635542 0.86 CCR1 (0.42) CCR1CCR5RECQLPTGDR2MAPK1
SCHEMBL4634940 0.86 RECQL (0.42) CCR1CCR5RECQLPTGDR2MAPK1
SCHEMBL4634319 0.86 RECQL (0.44) CCR1CCR5RECQLPTGDR2MAPK1
SCHEMBL4635149 0.85 ALDH1A1 (0.45) CCR1CCR5RECQLPTGDR2MAPK1
SCHEMBL4634343 0.84 MAPK1 (0.40) CCR1CCR5RECQLPTGDR2MAPK1
SCHEMBL4634104 0.82 KMT2A (0.58) CCR1RECQLPTGDR2MAPK1HSD17B10

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 CCR1 1/4885CCR5 6/4885RECQL 3944/4885

“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.