SCHEMBL4635504

SCHEMBL4635504

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

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 7/20 0.48
MGLL Q99685 2/20 0.48
HTT P42858 3/20 0.46
TDP1 Q9NUW8 1/20 0.46
ALDH1A1 P00352 2/20 0.46
CCR1 P32246 2/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
WNT3A P56704 1/20 0.45
TNKS2 Q9H2K2 1/20 0.45
SMN1; SMN2 Q16637 3/20 0.44
LMNA P02545 1/20 0.44
CYP2C19 P33261 1/20 0.43
PTGER4 P35408 1/20 0.43
MAPT P10636 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
SCHEMBL4634648 0.90 CCR1 (0.50) HSD11B1MGLLHTTTDP1ALDH1A1
SCHEMBL4635052 0.89 HSD11B1 (0.52) HSD11B1MGLLHTTTDP1ALDH1A1
SCHEMBL4634704 0.89 HSD11B1 (0.52) HSD11B1MGLLHTTTDP1ALDH1A1
SCHEMBL4634843 0.89 WNT3A (0.50) HSD11B1MGLLHTTTDP1ALDH1A1
SCHEMBL4634661 0.89 CCR1 (0.59) HSD11B1MGLLHTTTDP1ALDH1A1
SCHEMBL4634635 0.88 HSD11B1 (0.55) HSD11B1MGLLHTTTDP1ALDH1A1
SCHEMBL4635375 0.87 CCR1 (0.49) HSD11B1MGLLHTTTDP1ALDH1A1
SCHEMBL4635561 0.87 CCR1 (0.53) HSD11B1MGLLHTTTDP1ALDH1A1
SCHEMBL4634031 0.86 CCR1 (0.47) HSD11B1MGLLHTTTDP1ALDH1A1
SCHEMBL4634626 0.86 HSD11B1 (0.48) HSD11B1MGLLHTTTDP1ALDH1A1

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 3 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 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 HSD11B1 2270/4885MGLL 2444/4885HTT 4424/4885

“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.