SCHEMBL2159167

SCHEMBL2159167

COC(=O)c1nc(C(C)(C)C)ncc1Br

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.42
ABL1 P00519 2/20 0.35
SRC P12931 1/20 0.35
FOS P01100 1/20 0.34
JUN P05412 1/20 0.34
NFKB1 P19838 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.33
MAPK1 P28482 2/20 0.33
RAF1 P04049 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NOTUM Q6P988 1/20 0.33
GAA P10253 1/20 0.33
PDE10A Q9Y233 1/20 0.32
KDM4E B2RXH2 2/20 0.32
ALDH1A1 P00352 1/20 0.32

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
SCHEMBL2158930 0.81 MEN1 (0.33) SMN1; SMN2GAAPDE10AKDM4EALDH1A1
SCHEMBL14189988 0.81 IKBKB (0.33) GAAPDE10A
SCHEMBL2158565 0.81 NPSR1 (0.42) NPSR1FOSJUNNFKB1NFKB2
SCHEMBL7452572 0.78 NPSR1 (0.47) NPSR1L3MBTL1MAPK1SMN1; SMN2KDM4E
SCHEMBL31500546 0.78 NPSR1 (0.47) NPSR1L3MBTL1MAPK1SMN1; SMN2KDM4E
SCHEMBL22389946 0.77 NPSR1 (0.45) NPSR1ABL1JUNNFKB1NFKB2
SCHEMBL38663560 0.77 NPSR1 (0.45) NPSR1L3MBTL1MAPK1SMN1; SMN2GAA
SCHEMBL630198 0.75 NPSR1 (0.44) NPSR1L3MBTL1MAPK1SMN1; SMN2GAA
SCHEMBL628538 0.74 KMT2A (0.47) NPSR1L3MBTL1SMN1; SMN2KDM4EALDH1A1
SCHEMBL2159888 0.74 NPSR1 (0.42) NPSR1ABL1L3MBTL1MAPK1SMN1; SMN2

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 47 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2471774-B1 Piperidinyl derivatives as modulators of chemokine receptor activity BRISTOL MYERS SQUIBB CO (US) 2016-08-24 EP disclosed
EP-2471774-B1 Piperidinyl derivatives as modulators of chemokine receptor activity BRISTOL MYERS SQUIBB CO (US) 2016-08-24 EP disclosed
EP-1656345-B1 CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL MYERS SQUIBB CO (US) 2013-10-16 EP disclosed
EP-2471774-A1 Piperidinyl derivatives as modulators of chemokine receptor activity Bristol-Myers Squibb Company (US) 2012-07-04 EP disclosed
EP-2471774-A1 Piperidinyl derivatives as modulators of chemokine receptor activity Bristol-Myers Squibb Company (US) 2012-07-04 EP disclosed
US-20110245226-A1 PIPERIDINYL DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB COMPANY 2011-10-06 US disclosed
US-7985861-B2 Piperidinyl derivatives as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY (US) 2011-07-26 US disclosed
US-7985861-B2 Piperidinyl derivatives as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY (US) 2011-07-26 US disclosed
US-7985861-B2 Piperidinyl derivatives as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY (US) 2011-07-26 US disclosed
CN-1871215-B Cyclic derivatives as modulators of chemokine receptor activity BRISTOL MYERS SQUIBB CO 2011-06-08 CN disclosed
CN-1871215-A Cyclic derivatives as modulators of chemokine receptor activity BRISTOL MYERS SQUIBB CO (US) 2006-11-29 CN disclosed
EP-1656345-A1 CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY Bristol-Myers Squibb Company (US) 2006-05-17 EP disclosed
EP-1656138-A2 SUBSTITUTED CYCLOALKYAMINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY Bristol-Myers Squibb Company (US) 2006-05-17 EP disclosed
EP-1606255-A2 CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY Bristol-Myers Squibb Company (US) 2005-12-21 EP disclosed
WO-2005020899-A2 SUBSTITUTED CYCLOALKYAMINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB COMPANY (US) 2005-03-10 WO disclosed
US-20050054626-A1 Substituted cycloalkylamine derivatives as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY 2005-03-10 US disclosed
WO-2005021500-A1 CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB COMPANY (US) 2005-03-10 WO disclosed
US-20050054627-A1 Cyclic derivatives as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY 2005-03-10 US disclosed
US-20040186140-A1 Cyclic derivatives as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY 2004-09-23 US disclosed
WO-2004071460-A2 CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB COMPANY (US) 2004-08-26 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 (4 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-20040186140-A1 Cyclic derivatives as modulators of chemokine receptor activity CCL11, CCR1, CCL2 NPSR1 304/4885ABL1 4829/4885SRC 2131/4885
US-20050054626-A1 Substituted cycloalkylamine derivatives as modulators of chemokine receptor activity CCL11, CCR1, CCR2 NPSR1 303/4885ABL1 4853/4885SRC 2564/4885
US-20110245226-A1 PIPERIDINYL DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY CCR1, CCR2, CCR3 NPSR1 576/4885ABL1 3825/4885SRC 2737/4885
US-20050054627-A1 Cyclic derivatives as modulators of chemokine receptor activity CCL11, CCL2, CCR1 NPSR1 310/4885ABL1 4842/4885SRC 2061/4885

“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.