SCHEMBL4634937

SCHEMBL4634937

COC(=O)c1cc(Cl)ccc1OCC(=O)N1CCC(N)(Cc2ccc(F)cc2)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 2/20 0.49
CYP2C19 P33261 2/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CCR1 P32246 6/20 0.48
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
SMN1; SMN2 Q16637 6/20 0.44
HTT P42858 3/20 0.44
ALDH1A1 P00352 2/20 0.44
LMNA P02545 3/20 0.44
TSHR P16473 3/20 0.44
HPGD P15428 2/20 0.44
GAA P10253 2/20 0.44
NPC1 O15118 1/20 0.44
MAPK1 P28482 1/20 0.44
FPR3 P25089 1/20 0.43
GPR65 Q8IYL9 1/20 0.43
GPR35 Q9HC97 1/20 0.43
MAPT P10636 2/20 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
SCHEMBL4635859 0.90 CCR1 (0.54) CCR1SMN1; SMN2HTTALDH1A1LMNA
SCHEMBL4634732 0.87 CYP2C9 (0.47) CYP2C9CYP2C19CYP1A2CYP3A4CCR1
SCHEMBL4634769 0.86 CCR1 (0.48) CCR1KMT2ASMN1; SMN2HTTALDH1A1
SCHEMBL4633851 0.78 HSD11B1 (0.52) CYP2C9CYP2C19CYP1A2CYP3A4CCR1
SCHEMBL4634285 0.76 CCR1 (0.52) CCR1SMN1; SMN2HTTALDH1A1LMNA
SCHEMBL4633903 0.76 CCR1 (0.59) CCR1KMT2AMEN1SMN1; SMN2HTT
SCHEMBL4635011 0.76 CCR1 (0.61) CCR1SMN1; SMN2HTTLMNATSHR
SCHEMBL5673279 0.76 CCR1 (0.58) CCR1SMN1; SMN2HTTLMNATSHR
SCHEMBL4634497 0.74 CCR1 (0.59) CCR1SMN1; SMN2HTTLMNATSHR
SCHEMBL4634647 0.74 CCR1 (0.59) CCR1SMN1; SMN2HTTLMNATSHR

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 CYP2C9 935/4885CYP2C19 931/4885CYP1A2 754/4885

“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.