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Sugi Predict / Compounds / SCHEMBL4634236

SCHEMBL4634236

SCHEMBL4634236

N#CC1(C(F)c2ccc(F)cc2)CCN(C(=O)COc2ccc(Br)cc2CC(=O)O)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGDR2 Q9Y5Y4 1/20 0.41
▸ RECQL P46063 1/20 0.40
▸ MAPK1 P28482 2/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ KDM4E B2RXH2 3/20 0.39
▸ POLB P06746 2/20 0.39
▸ PKM P14618 2/20 0.39
▸ ALDH1A1 P00352 6/20 0.39
▸ HPGD P15428 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ KMT2A Q03164 3/20 0.38
▸ RXFP1 Q9HBX9 1/20 0.38
▸ GAA P10253 2/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ CCR1 P32246 1/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ HTT P42858 1/20 0.36
▸ MEN1 O00255 2/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL4634568 0.92 PTGDR2 (0.41) PTGDR2RECQLMAPK1HSD17B10KDM4E
SCHEMBL4634357 0.91 MAPK1 (0.40) PTGDR2RECQLMAPK1HSD17B10KDM4E
SCHEMBL4634364 0.83 PTGDR2 (0.43) PTGDR2RECQLMAPK1HSD17B10KDM4E
SCHEMBL4634625 0.83 MAPK1 (0.40) PTGDR2RECQLMAPK1HSD17B10KDM4E
SCHEMBL4634288 0.79 CCR1 (0.44) PTGDR2RECQLMAPK1HSD17B10KDM4E
SCHEMBL4634981 0.78 CCR1 (0.40) PTGDR2RECQLMAPK1HSD17B10KDM4E
SCHEMBL4634684 0.78 CCR1 (0.43) PTGDR2RECQLMAPK1HSD17B10KDM4E
SCHEMBL4635884 0.75 CCR1 (0.51) MAPK1HPGDNPSR1GAANPC1
SCHEMBL4634940 0.75 RECQL (0.42) PTGDR2RECQLMAPK1HSD17B10KDM4E
SCHEMBL4634319 0.75 RECQL (0.44) PTGDR2RECQLMAPK1HSD17B10KDM4E

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 PTGDR2 75/4885RECQL 3944/4885MAPK1 535/4885

“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.