SCHEMBL3228293

SCHEMBL3228293

COc1cc(N2CCC(C(=O)Cn3nc(C(F)(F)F)c(Cl)c3C)CC2)ccc1C#N

nearest known ligand 0.60

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 20/20 0.60
CYP2C19 P33261 1/20 0.60
KCNH2 Q12809 1/20 0.60

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
SCHEMBL3224018 0.89 CCR1 (0.75) CCR1CYP2C19KCNH2
SCHEMBL13456829 0.84 CCR1 (0.70) CCR1CYP2C19KCNH2
SCHEMBL3223278 0.80 CCR1 (0.68) CCR1CYP2C19KCNH2
SCHEMBL2866978 0.75 CCR1 (1.00) CCR1CYP2C19KCNH2
SCHEMBL3221306 0.74 CCR1 (0.74) CCR1CYP2C19KCNH2
SCHEMBL3223561 0.74 CCR1 (0.71) CCR1CYP2C19KCNH2
SCHEMBL2878631 0.74 CCR1 (0.83) CCR1CYP2C19KCNH2
SCHEMBL4253004 0.73 CCR1 (0.54) CCR1CYP2C19KCNH2
SCHEMBL3223832 0.73 CCR1 (0.61) CCR1CYP2C19KCNH2
SCHEMBL31466633 0.73 CHRM4 (0.51)

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 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

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.