SCHEMBL4635908

SCHEMBL4635908

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

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 3/20 0.44
MAPK1 P28482 2/20 0.43
HSD17B10 Q99714 1/20 0.43
ALDH1A1 P00352 6/20 0.43
HPGD P15428 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
RECQL P46063 1/20 0.41
KDM4E B2RXH2 4/20 0.41
POLB P06746 1/20 0.41
PKM P14618 1/20 0.41
KMT2A Q03164 5/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
RXFP1 Q9HBX9 1/20 0.39
HTT P42858 1/20 0.39
SSTR5 P35346 1/20 0.39
MEN1 O00255 4/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
CCR1 P32246 1/20 0.38

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
SCHEMBL4634288 0.90 CCR1 (0.44) CCR5MAPK1HSD17B10ALDH1A1HPGD
SCHEMBL4634379 0.89 MAPK1 (0.41) CCR5MAPK1HSD17B10ALDH1A1HPGD
SCHEMBL4634773 0.88 MAPK1 (0.41) CCR5MAPK1HSD17B10ALDH1A1HPGD
SCHEMBL4634358 0.88 MAPK1 (0.41) CCR5MAPK1HSD17B10ALDH1A1HPGD
SCHEMBL4634987 0.87 MAPK1 (0.39) CCR5MAPK1HSD17B10ALDH1A1HPGD
SCHEMBL4633902 0.87 ALDH1A1 (0.43) CCR5MAPK1HSD17B10ALDH1A1HPGD
SCHEMBL4634651 0.87 ALDH1A1 (0.41) CCR5MAPK1HSD17B10ALDH1A1HPGD
SCHEMBL4634977 0.86 ALDH1A1 (0.45) CCR5MAPK1HSD17B10ALDH1A1HPGD
SCHEMBL4634922 0.83 MEN1 (0.52) MAPK1HSD17B10ALDH1A1HPGDNPSR1
SCHEMBL4634625 0.81 MAPK1 (0.40) MAPK1HSD17B10ALDH1A1HPGDNPSR1

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 CCR5 6/4885MAPK1 535/4885HSD17B10 3746/4885

“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.