SCHEMBL3608776

SCHEMBL3608776

C/C=C\c1cc(C(OCOC)(C(F)(F)F)C(F)(F)F)ccc1N1CCN(C(=O)CBr)CC1C

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 2/20 0.33
ADAMTS5 Q9UNA0 13/20 0.33
CFD P00746 1/20 0.32
MMP2 P08253 4/20 0.31
MMP14 P50281 3/20 0.31
MMP13 P45452 3/20 0.31

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
SCHEMBL103292 1.00 CCR1 (0.33) CCR1ADAMTS5CFDMMP2MMP14
SCHEMBL3608778 1.00 CCR1 (0.33) CCR1ADAMTS5CFDMMP2MMP14
SCHEMBL3608772 1.00 CCR1 (0.33) CCR1ADAMTS5CFDMMP2MMP14
SCHEMBL106649 0.88 PDK1 (0.38) ADAMTS5CFD
SCHEMBL105247 0.88 PDK1 (0.38) ADAMTS5CFD
SCHEMBL106650 0.88 PDK1 (0.38) ADAMTS5CFD
SCHEMBL105421 0.87
SCHEMBL3594669 0.87
SCHEMBL3594672 0.87
SCHEMBL3594674 0.87

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-8551985-B2 Carbinol derivatives having heterocyclic linker KOWA COMPANY, LTD. (JP) 2013-10-08 US disclosed
US-20100280013-A1 CARBINOL DERIVATIVES HAVING HETEROCYCLIC LINKER KOWA COMPANY, LTD. (JP) 2010-11-04 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-20100280013-A1 CARBINOL DERIVATIVES HAVING HETEROCYCLIC LINKER NR1H2, NR1H3, CCR2 CCR1 10/4885ADAMTS5 4612/4885CFD 1742/4885

“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.