SCHEMBL3227912

SCHEMBL3227912

CCOC(=O)C(C)C1CCN(c2cc(OC)c(Cl)cc2Cl)CC1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 5/20 0.50
POLB P06746 1/20 0.42
PPOX P50336 2/20 0.41
KDM4E B2RXH2 2/20 0.40
MAPT P10636 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
MALT1 Q9UDY8 1/20 0.40
PKM P14618 2/20 0.40
TSHR P16473 2/20 0.40
HPGD P15428 1/20 0.40
LMNA P02545 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
HTT P42858 1/20 0.39
GAA P10253 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
NPSR1 Q6W5P4 2/20 0.38
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL3225808 0.83 POLB (0.59) POLBKDM4EMAPTMEN1KMT2A
SCHEMBL3225431 0.83 CCR1 (0.52) CCR1MAPTHTT
SCHEMBL3227831 0.81 CCR1 (0.49) CCR1PPOXKDM4EMAPTMEN1
SCHEMBL3224081 0.76 MALT1 (0.48) CCR1POLBMALT1TSHRALDH1A1
SCHEMBL4074344 0.76 CCR1 (0.47) CCR1PPOXKDM4EMAPTMEN1
SCHEMBL23037226 0.74 LGMN (0.41) PPOXKDM4EMAPTMEN1KMT2A
SCHEMBL3232412 0.74 GAA (0.43) CCR1POLBKDM4EMAPTMEN1
SCHEMBL21384573 0.72 ALDH1A1 (0.54) POLBMAPTMEN1KMT2ASMN1; SMN2
SCHEMBL21385141 0.70 MAPT (0.45) POLBKDM4EMAPTKMT2ATSHR
SCHEMBL4501202 0.69 NPSR1 (0.48) CCR1KDM4EMAPTMEN1KMT2A

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 CCR1 2/4885POLB 2739/4885PPOX 4756/4885

“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.