SCHEMBL735738

SCHEMBL735738

CCC1C(=O)N(CCCN2CCC3(CC3)C(O)C2)CCN1c1ccc(Cl)c(Cl)c1

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.35
SLC6A4 P31645 2/20 0.35
SLC6A3 Q01959 2/20 0.35
BCL2A1 Q16548 1/20 0.35
HTR7 P34969 1/20 0.34
ADAMTS5 Q9UNA0 8/20 0.34
MMP2 P08253 7/20 0.34
MMP14 P50281 2/20 0.34
ADAMTS4 O75173 1/20 0.34
MMP13 P45452 2/20 0.33
KCNH2 Q12809 2/20 0.32
DRD2 P14416 1/20 0.32
DRD3 P35462 1/20 0.32
DOCK5 Q9H7D0 1/20 0.32
GRIN1 Q05586 1/20 0.32
GRIN2B Q13224 1/20 0.32
KDM2B Q8NHM5 1/20 0.32
HTR1A P08908 1/20 0.32
ADAM17 P78536 1/20 0.32

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
SCHEMBL735457 1.00 SLC6A2 (0.35) SLC6A2SLC6A4SLC6A3BCL2A1HTR7
SCHEMBL735737 1.00 SLC6A2 (0.35) SLC6A2SLC6A4SLC6A3BCL2A1HTR7
SCHEMBL736670 1.00 SLC6A2 (0.35) SLC6A2SLC6A4SLC6A3BCL2A1HTR7
SCHEMBL737169 0.90 ADAMTS5 (0.36) SLC6A2SLC6A4SLC6A3BCL2A1HTR7
SCHEMBL733840 0.90 ADAMTS5 (0.36) SLC6A2SLC6A4SLC6A3BCL2A1HTR7
SCHEMBL736169 0.90 ADAMTS5 (0.36) SLC6A2SLC6A4SLC6A3BCL2A1HTR7
SCHEMBL733841 0.90 ADAMTS5 (0.36) SLC6A2SLC6A4SLC6A3BCL2A1HTR7
SCHEMBL734841 0.88 ADAMTS5 (0.36) SLC6A2SLC6A4SLC6A3BCL2A1HTR7
SCHEMBL734840 0.88 ADAMTS5 (0.36) SLC6A2SLC6A4SLC6A3BCL2A1HTR7
SCHEMBL736111 0.83 ADAMTS5 (0.40) HTR7ADAMTS5MMP2MMP14ADAMTS4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8138175-B2 Heterocyclyl compounds HOFFMANN-LA ROCHE INC. (US) 2012-03-20 US disclosed
US-20100022518-A1 NOVEL HETEROCYCLYL COMPOUNDS HOFFMANN-LA ROCHE, INC. 2010-01-28 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-20100022518-A1 NOVEL HETEROCYCLYL COMPOUNDS CCR2, CCR3, CCR5 SLC6A2 3874/4885SLC6A4 2184/4885SLC6A3 1568/4885

“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.