SCHEMBL3215847

SCHEMBL3215847

COc1cc(N2CCC(O)(CCO)CC2)c(Cl)cc1Cl

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 5/20 0.39
POLB P06746 1/20 0.36
FFAR4 Q5NUL3 3/20 0.36
FPR2 P25090 2/20 0.36
PROKR1 Q8TCW9 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
MAPK1 P28482 3/20 0.36
ALDH1A1 P00352 2/20 0.36
MAPT P10636 2/20 0.36
LMNA P02545 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HSP90AA1 P07900 1/20 0.35
PKM P14618 1/20 0.35
RAB9A P51151 1/20 0.35
CCR6 P51684 1/20 0.35
CACNA1B Q00975 1/20 0.35
APBA1 Q02410 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
SCHEMBL3212191 0.90 CCR1 (0.40) CCR1POLBFFAR4FPR2PROKR1
SCHEMBL3232412 0.79 GAA (0.43) CCR1POLBFFAR4MAPTLMNA
SCHEMBL3226088 0.79 GAA (0.40) POLBFPR2PROKR1MAPK1ALDH1A1
SCHEMBL3225354 0.76 CCR1 (0.63) CCR1CYP2C19
SCHEMBL3224186 0.75 ALDH1A1 (0.40) POLBCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL2874775 0.72 HTR3A (0.60) CYP2C19MAPTLMNADRD2DRD3
SCHEMBL21855544 0.71 ADAMTS5 (0.44) DRD2DRD3SLC6A4
SCHEMBL3227831 0.71 CCR1 (0.49) CCR1FFAR4MAPT
Hydrochloric Acid SCHEMBL2870719 0.71 HTR3A (0.59) CYP2C19MAPTLMNADRD2DRD3
SCHEMBL3223360 0.71 ALDH1A1 (0.47) CCR1CYP1A2CYP3A4CYP2C9CYP2C19

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 2739/4885FFAR4 170/4885

“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.