SCHEMBL4633988

SCHEMBL4633988

COC(=O)Cc1cc(Br)ccc1OCC(=O)N1CCC(C#N)(Cc2ccc(Cl)s2)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.41
ALDH1A1 P00352 6/20 0.40
HPGD P15428 3/20 0.39
NPSR1 Q6W5P4 1/20 0.39
POLB P06746 4/20 0.38
KMT2A Q03164 2/20 0.36
RXFP1 Q9HBX9 1/20 0.36
TP53 P04637 1/20 0.35
MAPK1 P28482 2/20 0.35
MEN1 O00255 1/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.35
SMN1; SMN2 Q16637 4/20 0.34
KDM4E B2RXH2 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
PKM P14618 1/20 0.34
LMNA P02545 4/20 0.34
MAPT P10636 1/20 0.34
NPC1 O15118 2/20 0.33
GAA P10253 2/20 0.33

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
SCHEMBL4634721 0.91 RECQL (0.43) RECQLALDH1A1HPGDNPSR1POLB
SCHEMBL4633816 0.86 RECQL (0.43) RECQLALDH1A1HPGDNPSR1POLB
SCHEMBL4634398 0.84 RECQL (0.41) RECQLALDH1A1HPGDNPSR1POLB
SCHEMBL4634773 0.83 MAPK1 (0.41) RECQLALDH1A1HPGDNPSR1POLB
SCHEMBL4634685 0.77 RECQL (0.45) RECQLALDH1A1HPGDNPSR1POLB
SCHEMBL4634679 0.76 CCR1 (0.46) HPGDNPSR1POLBMAPK1PTGDR2
SCHEMBL4634528 0.75 PTGDR2 (0.45) RECQLALDH1A1HPGDNPSR1POLB
SCHEMBL5055974 0.74 CCR1 (0.59) ALDH1A1PTGDR2
SCHEMBL4634357 0.74 MAPK1 (0.40) RECQLALDH1A1HPGDNPSR1POLB
SCHEMBL4634625 0.74 MAPK1 (0.40) RECQLALDH1A1HPGDNPSR1POLB

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 3 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 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 3944/4885ALDH1A1 296/4885HPGD 412/4885

“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.