SCHEMBL4633976

SCHEMBL4633976

N#CC1(Cc2ccc(F)cc2)CCN(C(=O)COc2ccc(Cl)cc2Br)CC1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.53
MAPT P10636 3/20 0.50
POLB P06746 2/20 0.50
KDM4E B2RXH2 1/20 0.46
HTT P42858 2/20 0.44
SMN1; SMN2 Q16637 6/20 0.43
GAA P10253 3/20 0.43
HPGD P15428 3/20 0.43
TSHR P16473 3/20 0.43
ALOX12 P18054 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
ALDH1A1 P00352 2/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 1/20 0.42
MAPK1 P28482 1/20 0.42
CCR1 P32246 1/20 0.41
PKM P14618 1/20 0.41
RECQL P46063 1/20 0.41

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
SCHEMBL4634285 0.90 CCR1 (0.52) LMNAMAPTHTTSMN1; SMN2GAA
SCHEMBL5672743 0.89 PTGDR2 (0.43) LMNAMAPTPOLBHTTSMN1; SMN2
SCHEMBL4634315 0.89 HTT (0.44) LMNAMAPTHTTSMN1; SMN2GAA
SCHEMBL4634701 0.89 MAPT (0.47) LMNAMAPTKDM4EHTTSMN1; SMN2
SCHEMBL4635597 0.89 PTGDR2 (0.45) LMNAMAPTHTTSMN1; SMN2GAA
SCHEMBL4633911 0.88 HTT (0.42) LMNAMAPTPOLBHTTSMN1; SMN2
SCHEMBL5673252 0.87 PTGDR2 (0.43) LMNAMAPTKDM4EHTTSMN1; SMN2
SCHEMBL4634630 0.87 HTT (0.43) LMNAMAPTKDM4EHTTSMN1; SMN2
SCHEMBL4635851 0.86 ENPP2 (0.43) LMNAMAPTKDM4EHTTSMN1; SMN2
SCHEMBL4634373 0.86 CCR1 (0.53) LMNAMAPTHTTSMN1; SMN2GAA

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 LMNA 4677/4885MAPT 3394/4885POLB 1687/4885

“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.