SCHEMBL3224308

SCHEMBL3224308

Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)C1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.49
RECQL P46063 1/20 0.49
CCR1 P32246 18/20 0.48
CYP2C19 P33261 1/20 0.44
KCNH2 Q12809 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
SCHEMBL2876859 0.86 CCR1 (0.64) CCR1CYP2C19KCNH2
SCHEMBL4815084 0.81 CCR1 (0.53) KDM4ERECQLCCR1CYP2C19KCNH2
SCHEMBL16200334 0.81 CCR1 (0.53) KDM4ERECQLCCR1CYP2C19KCNH2
SCHEMBL3223832 0.75 CCR1 (0.61) CCR1CYP2C19KCNH2
SCHEMBL3224018 0.74 CCR1 (0.75) CCR1CYP2C19KCNH2
SCHEMBL16832612 0.73 BACE1 (0.43) KDM4E
SCHEMBL13024342 0.71 CCR1 (0.53) CCR1
SCHEMBL3092588 0.71 KDM4E (0.45) KDM4ERECQLCCR1CYP2C19KCNH2
SCHEMBL1119950 0.71 KDM4E (0.69) KDM4ERECQLCCR1
SCHEMBL3296996 0.71 HPGD (0.59) KDM4ERECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2084146-B1 CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL MYERS SQUIBB CO (US) 2013-08-21 EP disclosed
US-8354432-B2 Cyclic derivatives as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY (US) 2013-01-15 US disclosed
US-20100063067-A1 CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB COMPANY 2010-03-11 US disclosed
EP-2084146-A1 CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY Brystol-Myers Squibb Company (US) 2009-08-05 EP disclosed
WO-2008042925-A1 CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB COMPANY (US) 2008-04-10 WO 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-20100063067-A1 CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY CXCR1, CCR1, ACKR3 KDM4E 4774/4885RECQL 1217/4885CCR1 2/4885

“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.