SCHEMBL3227831

SCHEMBL3227831

COc1cc(N2CCC(C(C)CO)CC2)c(Cl)cc1Cl

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 7/20 0.49
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
MAPT P10636 1/20 0.38
KMT2A Q03164 1/20 0.38
MALT1 Q9UDY8 1/20 0.38
FFAR4 Q5NUL3 1/20 0.36
CHRM5 P08912 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRM3 P20309 1/20 0.36
PPOX P50336 1/20 0.36
HPGD P15428 1/20 0.35
MTNR1A P48039 2/20 0.35
MTNR1B P49286 2/20 0.35
SUV39H2 Q9H5I1 1/20 0.35

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
SCHEMBL3227912 0.81 CCR1 (0.50) CCR1KDM4EMEN1MAPTKMT2A
SCHEMBL4074344 0.77 CCR1 (0.47) CCR1KDM4EMEN1MAPTKMT2A
SCHEMBL3225808 0.75 POLB (0.59) KDM4EMEN1MAPTKMT2AHPGD
SCHEMBL3224081 0.74 MALT1 (0.48) CCR1MALT1
SCHEMBL3227864 0.74 CCR1 (0.85) CCR1
SCHEMBL3215847 0.71 CCR1 (0.39) CCR1MAPTFFAR4
SCHEMBL15190149 0.71 CCR1 (0.56) CCR1MALT1
SCHEMBL2874775 0.70 HTR3A (0.60) MAPTSUV39H2
SCHEMBL3219163 0.70 CCR1 (0.82) CCR1
Hydrochloric Acid SCHEMBL2870719 0.69 HTR3A (0.59) MAPTSUV39H2

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 2/4885KDM4E 4774/4885MEN1 1879/4885

“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.