SCHEMBL6399165

SCHEMBL6399165

O=C(SCC1CCCN1Cc1ccccc1)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 3/20 0.49
OPRD1 P41143 1/20 0.47
NPSR1 Q6W5P4 1/20 0.46
SPHK2 Q9NRA0 3/20 0.46
SPHK1 Q9NYA1 3/20 0.46
HDAC8 Q9BY41 2/20 0.44
HDAC6 Q9UBN7 2/20 0.44
HDAC1 Q13547 1/20 0.44

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
SCHEMBL6399311 1.00 CCR2 (0.49) CCR2OPRD1NPSR1SPHK2SPHK1
SCHEMBL6399159 1.00 CCR2 (0.49) CCR2OPRD1NPSR1SPHK2SPHK1
SCHEMBL6398891 0.96 OPRD1 (0.52) CCR2OPRD1NPSR1SPHK2SPHK1
SCHEMBL3689270 0.77 OPRD1 (0.53) CCR2OPRD1SPHK2SPHK1
SCHEMBL14822485 0.77 OPRD1 (0.53) CCR2OPRD1SPHK2SPHK1
SCHEMBL312540 0.75 SPHK1 (0.69) SPHK2SPHK1
SCHEMBL2169692 0.75 SPHK1 (0.69) SPHK2SPHK1
SCHEMBL16050034 0.75 SPHK2 (0.51) OPRD1SPHK2SPHK1
SCHEMBL4926619 0.75 SPHK1 (0.69) SPHK2SPHK1
Acetic Acid SCHEMBL7451806 0.75 SPHK1 (0.62) OPRD1SPHK2SPHK1

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
US-20050004092-A1 Penem derivatives and antimicrobial agent containing the same DAIICHI SUNTORY PHARMA CO., LTD. (JP) 2005-01-06 US disclosed
EP-0757051-B1 PENEM DERIVATIVES AND ANTIMICROBIAL AGENT CONTAINING THE SAME DAIICHI SUNTORY PHARMA CO LTD (JP) 2003-10-29 EP disclosed
EP-0757051-A1 PENEM DERIVATIVES AND ANTIMICROBIAL AGENT CONTAINING THE SAME SUNTORY LIMITED (JP) 1997-02-05 EP 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-20050004092-A1 Penem derivatives and antimicrobial agent containing the same MRPL21, MRPS2, MRPS28 CCR2 4367/4885OPRD1 3035/4885NPSR1 2443/4885

“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.