SCHEMBL4634679

SCHEMBL4634679

COC(=O)Cc1cc(Cl)ccc1OCC(=O)N1CCC(C#N)(Cc2ccc(F)cc2)CC1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 6/20 0.46
PTGDR2 Q9Y5Y4 3/20 0.44
SMN1; SMN2 Q16637 4/20 0.41
LMNA P02545 3/20 0.41
TSHR P16473 3/20 0.41
HTT P42858 3/20 0.41
HPGD P15428 2/20 0.41
GAA P10253 2/20 0.41
NPC1 O15118 1/20 0.41
MAPK1 P28482 1/20 0.41
MAPT P10636 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
ALOX12 P18054 1/20 0.40
FPR3 P25089 1/20 0.39
GPR65 Q8IYL9 1/20 0.39
GPR35 Q9HC97 1/20 0.39
POLB P06746 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
SCHEMBL4634373 0.91 CCR1 (0.53) CCR1PTGDR2SMN1; SMN2LMNATSHR
SCHEMBL4634773 0.90 MAPK1 (0.41) CCR1PTGDR2SMN1; SMN2HTTHPGD
SCHEMBL5674679 0.90 SMN1; SMN2 (0.42) CCR1PTGDR2SMN1; SMN2LMNATSHR
SCHEMBL4635008 0.90 PTGDR2 (0.44) CCR1PTGDR2SMN1; SMN2LMNATSHR
SCHEMBL4634701 0.90 MAPT (0.47) CCR1PTGDR2SMN1; SMN2LMNATSHR
SCHEMBL4633914 0.89 SMN1; SMN2 (0.38) CCR1SMN1; SMN2LMNATSHRHTT
SCHEMBL4633816 0.88 RECQL (0.43) SMN1; SMN2LMNATSHRHTTHPGD
SCHEMBL4634705 0.88 PTGDR2 (0.44) CCR1PTGDR2SMN1; SMN2LMNATSHR
SCHEMBL5673252 0.88 PTGDR2 (0.43) CCR1PTGDR2SMN1; SMN2LMNATSHR
SCHEMBL5672743 0.88 PTGDR2 (0.43) CCR1PTGDR2SMN1; SMN2LMNATSHR

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 1/4885PTGDR2 75/4885SMN1; SMN2 2864/4885

“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.