SCHEMBL3223281

SCHEMBL3223281

COc1ccc(Cl)c(N2CCC(C(O)Cn3nc(C(F)(F)F)c(Cl)c3C)CC2)c1

nearest known ligand 0.76

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 19/20 0.76
CYP2C19 P33261 1/20 0.45
KCNH2 Q12809 1/20 0.45
FFAR1 O14842 1/20 0.42

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
SCHEMBL3227514 0.87 CCR1 (0.69) CCR1
SCHEMBL3228997 0.86 CCR1 (1.00) CCR1CYP2C19KCNH2
SCHEMBL3219163 0.86 CCR1 (0.82) CCR1CYP2C19KCNH2
SCHEMBL3230478 0.84 CCR1 (0.76) CCR1CYP2C19KCNH2
SCHEMBL3224010 0.82 CCR1 (0.69) CCR1CYP2C19KCNH2
SCHEMBL3232803 0.82 CCR1 (0.69) CCR1CYP2C19KCNH2
SCHEMBL3227509 0.80 CCR1 (0.73) CCR1
SCHEMBL3229234 0.80 CCR1 (0.66) CCR1CYP2C19KCNH2
SCHEMBL3227401 0.79 CCR1 (0.72) CCR1
SCHEMBL2873579 0.79 CCR1 (0.76) CCR1CYP2C19KCNH2

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 6 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 claimed
US-8354432-B2 Cyclic derivatives as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY (US) 2013-01-15 US claimed
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
WO-2010007120-A1 PYRIDAZINE DERIVATIVES AS SMO INHIBITORS NOVARTIS AG (CH) 2010-01-21 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 CCR1 2/4885CYP2C19 1554/4885KCNH2 3218/4885

“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.