SCHEMBL5673235

SCHEMBL5673235

N#CC1(Cc2ccc(F)cc2)CCN(C(=O)COc2ccc(Br)cc2CCl)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.44
MAPK1 P28482 2/20 0.41
HSD17B10 Q99714 1/20 0.41
ALDH1A1 P00352 5/20 0.41
HPGD P15428 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
KDM4E B2RXH2 3/20 0.41
POLB P06746 1/20 0.41
PKM P14618 1/20 0.41
CCR5 P51681 1/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.39
KMT2A Q03164 4/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
HTT P42858 2/20 0.38
RXFP1 Q9HBX9 1/20 0.38
MEN1 O00255 3/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
CCR1 P32246 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36

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
SCHEMBL4634923 0.93 MAPK1 (0.49) RECQLMAPK1HSD17B10ALDH1A1HPGD
SCHEMBL4634364 0.90 PTGDR2 (0.43) RECQLMAPK1HSD17B10ALDH1A1HPGD
SCHEMBL4634928 0.89 MAPK1 (0.41) RECQLMAPK1HSD17B10ALDH1A1HPGD
SCHEMBL4634773 0.88 MAPK1 (0.41) RECQLMAPK1HSD17B10ALDH1A1HPGD
SCHEMBL4635390 0.86 PTGDR2 (0.47) RECQLMAPK1ALDH1A1HPGDNPSR1
SCHEMBL4634292 0.85 ALDH1A1 (0.40) RECQLMAPK1HSD17B10ALDH1A1HPGD
SCHEMBL4634703 0.85 ALDH1A1 (0.40) RECQLMAPK1HSD17B10ALDH1A1HPGD
SCHEMBL4634663 0.84 CCR1 (0.40) RECQLMAPK1HSD17B10ALDH1A1HPGD
SCHEMBL5672743 0.84 PTGDR2 (0.43) MAPK1HPGDNPSR1POLBPTGDR2
SCHEMBL4634701 0.84 MAPT (0.47) MAPK1HPGDNPSR1KDM4EPTGDR2

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 1 patent. 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 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 3944/4885MAPK1 535/4885HSD17B10 3746/4885

“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.