SCHEMBL4634685

SCHEMBL4634685

N#CC1(Cc2ccc(Cl)cc2)CCN(C(=O)COc2ccc(Br)cc2CC(=O)O)CC1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.45
POLB P06746 1/20 0.43
PTGDR2 Q9Y5Y4 3/20 0.43
CCR5 P51681 7/20 0.42
ALDH1A1 P00352 2/20 0.41
LMNA P02545 2/20 0.41
HPGD P15428 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
CCR1 P32246 1/20 0.40
HTT P42858 1/20 0.40
GAA P10253 1/20 0.39
TSHR P16473 1/20 0.39
MAPT P10636 1/20 0.39
ALOX12 P18054 1/20 0.39
SMN1; SMN2 Q16637 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
SCHEMBL4634364 0.91 PTGDR2 (0.43) RECQLPOLBPTGDR2CCR5ALDH1A1
SCHEMBL4633816 0.91 RECQL (0.43) RECQLPOLBCCR5ALDH1A1LMNA
SCHEMBL4634528 0.91 PTGDR2 (0.45) RECQLPOLBPTGDR2ALDH1A1LMNA
SCHEMBL4634373 0.88 CCR1 (0.53) PTGDR2LMNAHPGDNPSR1CCR1
SCHEMBL4634721 0.85 RECQL (0.43) RECQLPOLBPTGDR2ALDH1A1LMNA
SCHEMBL5673235 0.83 RECQL (0.44) RECQLPOLBPTGDR2CCR5ALDH1A1
SCHEMBL4634923 0.83 MAPK1 (0.49) RECQLPOLBPTGDR2CCR5ALDH1A1
SCHEMBL4634773 0.82 MAPK1 (0.41) RECQLPOLBPTGDR2CCR5ALDH1A1
SCHEMBL4634398 0.82 RECQL (0.41) RECQLPOLBPTGDR2CCR5ALDH1A1
SCHEMBL5672743 0.80 PTGDR2 (0.43) POLBPTGDR2LMNAHPGDNPSR1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060167044-A1 Piperidine derivatives and their use as anti-inflammatory agents BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2006-07-27 US 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 RECQL 3944/4885POLB 1687/4885PTGDR2 75/4885

“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.