SCHEMBL4634348

SCHEMBL4634348

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 7/20 0.52
PTGER4 P35408 1/20 0.39
HTT P42858 3/20 0.38
SMN1; SMN2 Q16637 5/20 0.37
GAA P10253 2/20 0.37
HPGD P15428 2/20 0.37
TSHR P16473 2/20 0.37
MAPT P10636 1/20 0.37
ALOX12 P18054 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
POLB P06746 1/20 0.37
ALDH1A1 P00352 2/20 0.37
FPR3 P25089 1/20 0.37
GPR65 Q8IYL9 1/20 0.37
GPR35 Q9HC97 1/20 0.37
LMNA P02545 2/20 0.36
NPC1 O15118 1/20 0.36
MAPK1 P28482 1/20 0.36
AKR1B1 P15121 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL4634280 0.89 CCR1 (0.45) CCR1PTGER4HTTSMN1; SMN2GAA
SCHEMBL5674657 0.89 CCR1 (0.46) CCR1PTGER4HTTSMN1; SMN2GAA
SCHEMBL4634723 0.89 CCR1 (0.46) CCR1HTTSMN1; SMN2GAAHPGD
SCHEMBL5671967 0.85 CCR1 (0.44) CCR1PTGER4HTTSMN1; SMN2GAA
SCHEMBL4634285 0.85 CCR1 (0.52) CCR1HTTSMN1; SMN2GAAHPGD
SCHEMBL5671984 0.85 CCR1 (0.41) CCR1PTGER4HTTSMN1; SMN2GAA
SCHEMBL4634732 0.85 CYP2C9 (0.47) CCR1HTTSMN1; SMN2GAAHPGD
SCHEMBL4633887 0.84 CCR1 (0.44) CCR1HTTSMN1; SMN2ALDH1A1FPR3
SCHEMBL5674676 0.83 CCR1 (0.42) CCR1HTTSMN1; SMN2GAAHPGD
SCHEMBL4635564 0.83 CCR1 (0.43) CCR1HTTSMN1; SMN2GAAHPGD

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 CCR1 1/4885PTGER4 78/4885HTT 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.