SCHEMBL4635375

SCHEMBL4635375

CN(C)CCNC(=O)c1cc(Cl)ccc1OCC(=O)N1CCC(C(=O)c2ccc(F)cc2)CC1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 2/20 0.49
WNT3A P56704 1/20 0.49
TNKS2 Q9H2K2 1/20 0.49
HTT P42858 3/20 0.47
TDP1 Q9NUW8 1/20 0.47
HSD11B1 P28845 4/20 0.46
MGLL Q99685 1/20 0.46
KMT2A Q03164 3/20 0.46
ALDH1A1 P00352 3/20 0.46
MEN1 O00255 1/20 0.46
CYP2C19 P33261 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.45
MAPT P10636 1/20 0.45
HPGD P15428 1/20 0.44
LMNA P02545 2/20 0.44
BLM P54132 1/20 0.43

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
SCHEMBL4634277 0.95 CCR1 (0.48) CCR1WNT3ATNKS2HTTTDP1
SCHEMBL4634648 0.91 CCR1 (0.50) CCR1WNT3ATNKS2HTTTDP1
SCHEMBL4634661 0.90 CCR1 (0.59) CCR1WNT3ATNKS2HTTTDP1
SCHEMBL4635561 0.88 CCR1 (0.53) CCR1WNT3ATNKS2HTTTDP1
SCHEMBL4634843 0.88 WNT3A (0.50) CCR1WNT3ATNKS2HTTTDP1
SCHEMBL4634031 0.88 CCR1 (0.47) CCR1WNT3ATNKS2HTTTDP1
SCHEMBL4635504 0.87 HSD11B1 (0.48) CCR1WNT3ATNKS2HTTTDP1
SCHEMBL4635052 0.87 HSD11B1 (0.52) CCR1HTTTDP1HSD11B1MGLL
SCHEMBL4634704 0.87 HSD11B1 (0.52) HTTTDP1HSD11B1MGLLKMT2A
SCHEMBL4635487 0.85 WNT3A (0.54) CCR1WNT3ATNKS2KMT2AALDH1A1

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 1/4885WNT3A 3640/4885TNKS2 3828/4885

“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.