SCHEMBL4635489

SCHEMBL4635489

CN(C)c1cc(OCC(=O)N2CCC(C#N)(Cc3ccc(F)cc3)CC2)c(CC(=O)O)cc1Br

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 1/20 0.37
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
ALDH1A1 P00352 6/20 0.34
PTGDR2 Q9Y5Y4 3/20 0.34
SMN1; SMN2 Q16637 5/20 0.34
HTT P42858 1/20 0.34
POLB P06746 2/20 0.34
HPGD P15428 2/20 0.33
GAA P10253 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
NPC1 O15118 1/20 0.33
TSHR P16473 1/20 0.33
RAB9A P51151 1/20 0.33
PKM P14618 1/20 0.33
MAPT P10636 1/20 0.33
FKBP1A P62942 1/20 0.32

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
SCHEMBL4634364 0.85 PTGDR2 (0.43) CCR1KDM4EMEN1KMT2AALDH1A1
SCHEMBL4634336 0.83 CCR1 (0.42) CCR1MEN1KMT2AALDH1A1PTGDR2
SCHEMBL4634373 0.82 CCR1 (0.53) CCR1PTGDR2SMN1; SMN2HTTHPGD
SCHEMBL4634773 0.78 MAPK1 (0.41) CCR1KDM4EMEN1KMT2AALDH1A1
SCHEMBL4634923 0.77 MAPK1 (0.49) KDM4EMEN1KMT2AALDH1A1PTGDR2
SCHEMBL4633976 0.77 LMNA (0.53) CCR1KDM4EALDH1A1SMN1; SMN2HTT
SCHEMBL4634685 0.77 RECQL (0.45) CCR1ALDH1A1PTGDR2SMN1; SMN2HTT
SCHEMBL4634705 0.76 PTGDR2 (0.44) CCR1MEN1KMT2AALDH1A1PTGDR2
SCHEMBL5673235 0.76 RECQL (0.44) CCR1KDM4EMEN1KMT2AALDH1A1
SCHEMBL4634315 0.75 HTT (0.44) CCR1PTGDR2SMN1; SMN2HTTHPGD

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 1/4885KDM4E 4378/4885MEN1 4827/4885

“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.