SCHEMBL1554960

SCHEMBL1554960

C[C@@H]1C(=O)N(CCCC(=O)N2CCC3(CC3)[C@H](O)C2)CCN1c1ccc(Cl)c(OC(F)(F)F)c1

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ADAMTS5 Q9UNA0 18/20 0.39
MMP2 P08253 10/20 0.38
MMP14 P50281 5/20 0.38
CCR1 P32246 2/20 0.37
MMP13 P45452 1/20 0.36
ADAM17 P78536 2/20 0.35
ADAMTS4 O75173 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
SCHEMBL1555506 1.00 ADAMTS5 (0.39) ADAMTS5MMP2MMP14CCR1MMP13
SCHEMBL1587015 1.00 ADAMTS5 (0.39) ADAMTS5MMP2MMP14CCR1MMP13
SCHEMBL14958919 0.92 ADAMTS5 (0.41) ADAMTS5MMP2MMP14MMP13ADAM17
SCHEMBL14958918 0.92 ADAMTS5 (0.41) ADAMTS5MMP2MMP14MMP13ADAM17
SCHEMBL1555020 0.88 ADAMTS5 (0.45) ADAMTS5MMP2MMP14MMP13ADAM17
SCHEMBL1556341 0.88 ADAMTS5 (0.45) ADAMTS5MMP2MMP14MMP13ADAM17
SCHEMBL1555993 0.88 ADAMTS5 (0.45) ADAMTS5MMP2MMP14MMP13ADAM17
SCHEMBL1586945 0.88 ADAMTS5 (0.45) ADAMTS5MMP2MMP14MMP13ADAM17
SCHEMBL734823 0.88 LIPE (0.34) ADAMTS5MMP2MMP14CCR1ADAMTS4
SCHEMBL734822 0.88 LIPE (0.34) ADAMTS5MMP2MMP14CCR1ADAMTS4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2491022-B1 DIAZEPAN DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTORS HOFFMANN LA ROCHE (CH) 2014-12-31 EP disclosed
EP-2491022-B1 DIAZEPAN DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTORS HOFFMANN LA ROCHE (CH) 2014-12-31 EP disclosed
US-8445674-B2 Heterocyclyl compounds Hoffmann-La Roche Inc (US) 2013-05-21 US disclosed
US-8445674-B2 Heterocyclyl compounds Hoffmann-La Roche Inc (US) 2013-05-21 US disclosed
EP-2491022-A1 DIAZEPAM DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTORS F. Hoffmann-La Roche AG (CH) 2012-08-29 EP disclosed
WO-2011048032-A1 DIAZEPAM DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTORS F. HOFFMANN-LA ROCHE AG (CH) 2011-04-28 WO disclosed
US-20110092698-A1 NOVEL HETEROCYCLYL COMPOUNDS F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) 2011-04-21 US disclosed
US-20110092698-A1 NOVEL HETEROCYCLYL COMPOUNDS F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) 2011-04-21 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-20110092698-A1 NOVEL HETEROCYCLYL COMPOUNDS CCR2, CCR3, CCR1 ADAMTS5 4275/4885MMP2 3397/4885MMP14 4449/4885

“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.