SCHEMBL4634971

SCHEMBL4634971

CCNCC1(Cc2ccc(F)cc2)CCN(C(=O)COc2ccc(Cl)cc2NC(N)=O)CC1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 12/20 0.57
FPR3 P25089 1/20 0.57
GPR65 Q8IYL9 1/20 0.57
GPR35 Q9HC97 1/20 0.57
SMN1; SMN2 Q16637 4/20 0.40
TSHR P16473 2/20 0.40
LMNA P02545 3/20 0.40
HTT P42858 2/20 0.40
NPC1 O15118 1/20 0.40
HPGD P15428 1/20 0.40
GAA P10253 1/20 0.40
MAPK1 P28482 1/20 0.40
ALDH1A1 P00352 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL4634359 0.93 CCR1 (0.54) CCR1FPR3GPR65GPR35SMN1; SMN2
SCHEMBL4634270 0.93 CCR1 (0.57) CCR1FPR3GPR65GPR35SMN1; SMN2
SCHEMBL4634980 0.93 CCR1 (0.59) CCR1FPR3GPR65GPR35SMN1; SMN2
SCHEMBL5671969 0.92 CCR1 (0.53) CCR1FPR3GPR65GPR35SMN1; SMN2
SCHEMBL5671905 0.91 CCR1 (0.52) CCR1FPR3GPR65GPR35SMN1; SMN2
SCHEMBL4635131 0.91 CCR1 (0.58) CCR1FPR3GPR65GPR35SMN1; SMN2
SCHEMBL4635140 0.90 CCR1 (0.57) CCR1FPR3GPR65GPR35SMN1; SMN2
SCHEMBL4634727 0.90 CCR1 (0.57) CCR1FPR3GPR65GPR35SMN1; SMN2
SCHEMBL4634325 0.89 CCR1 (0.55) CCR1FPR3GPR65GPR35SMN1; SMN2
SCHEMBL4634603 0.89 CCR1 (0.57) CCR1FPR3GPR65GPR35SMN1; SMN2

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 1/4885FPR3 90/4885GPR65 205/4885

“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.