SCHEMBL4634503

SCHEMBL4634503

CC1(C(O)c2ccc(F)cc2)CCN(C(=O)COc2ccc(Cl)cc2NC(N)=O)CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 8/20 0.55
FPR3 P25089 1/20 0.55
GPR65 Q8IYL9 1/20 0.55
GPR35 Q9HC97 1/20 0.55
KCNH2 Q12809 2/20 0.43
SMN1; SMN2 Q16637 4/20 0.42
LMNA P02545 4/20 0.42
HTT P42858 3/20 0.42
TSHR P16473 3/20 0.42
HPGD P15428 2/20 0.42
GAA P10253 2/20 0.42
NPC1 O15118 1/20 0.42
MAPK1 P28482 1/20 0.42
MAPT P10636 2/20 0.41
ALOX12 P18054 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
POLB P06746 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 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
SCHEMBL4635071 0.91 CCR1 (0.55) CCR1FPR3GPR65GPR35KCNH2
SCHEMBL4635861 0.90 CCR1 (0.53) CCR1FPR3GPR65GPR35KCNH2
SCHEMBL4635746 0.88 CCR1 (0.52) CCR1FPR3GPR65GPR35KCNH2
SCHEMBL4634636 0.87 CCR1 (0.51) CCR1FPR3GPR65GPR35KCNH2
SCHEMBL4635026 0.87 SMN1; SMN2 (0.45) SMN1; SMN2LMNAHTTTSHRHPGD
SCHEMBL4635469 0.84 CCR1 (0.42) CCR1FPR3GPR65GPR35SMN1; SMN2
SCHEMBL4635011 0.84 CCR1 (0.61) CCR1FPR3GPR65GPR35SMN1; SMN2
SCHEMBL4634632 0.84 CCR1 (0.56) CCR1FPR3GPR65GPR35SMN1; SMN2
SCHEMBL4635086 0.84 CCR1 (0.40) CCR1FPR3GPR65GPR35SMN1; SMN2
SCHEMBL4635460 0.83 CCR1 (0.51) CCR1FPR3GPR65GPR35KCNH2

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 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.