SCHEMBL4634723

SCHEMBL4634723

N#CC1(Cc2ccc(F)cc2)CCN(C(=O)COc2ccc(Cl)cc2C(=O)NCCN2CCCC2)CC1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 3/20 0.46
CACNA1G O43497 4/20 0.42
WNT3A P56704 1/20 0.42
TNKS2 Q9H2K2 1/20 0.42
HTT P42858 1/20 0.41
EPHX2 P34913 1/20 0.41
HPGD P15428 2/20 0.40
TSHR P16473 2/20 0.40
GAA P10253 1/20 0.40
F10 P00742 1/20 0.40
ALDH1A1 P00352 1/20 0.39
NPC1 O15118 1/20 0.39
LMNA P02545 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
POLB P06746 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL4634348 0.89 CCR1 (0.52) CCR1HTTHPGDTSHRGAA
SCHEMBL4634280 0.88 CCR1 (0.45) CCR1HTTHPGDTSHRGAA
SCHEMBL5674657 0.88 CCR1 (0.46) CCR1HTTHPGDTSHRGAA
SCHEMBL5671967 0.85 CCR1 (0.44) CCR1HTTHPGDTSHRGAA
SCHEMBL4633887 0.85 CCR1 (0.44) CCR1HTTALDH1A1NPC1LMNA
SCHEMBL4634285 0.85 CCR1 (0.52) CCR1HTTHPGDTSHRGAA
SCHEMBL5671984 0.84 CCR1 (0.41) CCR1HTTHPGDTSHRGAA
SCHEMBL4634732 0.84 CYP2C9 (0.47) CCR1HTTHPGDTSHRGAA
SCHEMBL5671954 0.83 CCR1 (0.43) CCR1HTTHPGDTSHRGAA
SCHEMBL5674676 0.83 CCR1 (0.42) CCR1HTTHPGDTSHRGAA

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 5 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
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 1/4885CACNA1G 1451/4885WNT3A 3640/4885

“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.