SCHEMBL2159197

SCHEMBL2159197

COC(=O)c1nc(C(C)(C)C)ncc1NC(=O)OC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ATR Q13535 1/20 0.42
METAP1 P53582 1/20 0.38
NPSR1 Q6W5P4 1/20 0.36
PDE10A Q9Y233 4/20 0.35
MAPKAPK2 P49137 4/20 0.34
GSK3B P49841 1/20 0.34
DYRK1A Q13627 1/20 0.34
RXFP1 Q9HBX9 1/20 0.33
FOS P01100 1/20 0.33
JUN P05412 1/20 0.33
NFKB1 P19838 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
LCK P06239 1/20 0.33
NAMPT P43490 1/20 0.33

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
SCHEMBL5236509 0.80 SMN1; SMN2 (0.50) NPSR1NFKB1NFKB2RELA
SCHEMBL2081360 0.76 NTRK1 (0.51)
SCHEMBL264062 0.75 ATR (0.44) ATRMETAP1NPSR1MAPKAPK2RXFP1
SCHEMBL2160095 0.75 PDE10A (0.56) NPSR1PDE10A
SCHEMBL2158565 0.74 NPSR1 (0.42) NPSR1FOSJUNNFKB1NFKB2
SCHEMBL2159167 0.74 NPSR1 (0.42) NPSR1PDE10AFOSJUNNFKB1
SCHEMBL25357473 0.73 ATR (0.40) ATRMETAP1NPSR1RXFP1LCK
SCHEMBL30531034 0.73 ATR (0.40) ATRMETAP1NPSR1RXFP1LCK
SCHEMBL31326399 0.73 ATR (0.42) ATRMETAP1MAPKAPK2GSK3BDYRK1A
SCHEMBL21339691 0.73 ATR (0.42) ATRMETAP1GSK3BDYRK1ANFKB1

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 44 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
US-7829571-B2 Cyclic derivatives as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY (US) 2010-11-09 US disclosed
US-7163937-B2 Cyclic derivatives as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY (US) 2007-01-16 US 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-20050054627-A1 Cyclic derivatives as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY 2005-03-10 US 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-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 ATR 4197/4885METAP1 252/4885NPSR1 304/4885
US-20050054626-A1 Substituted cycloalkylamine derivatives as modulators of chemokine receptor activity CCL11, CCR1, CCR2 ATR 4702/4885METAP1 170/4885NPSR1 303/4885
US-20110245226-A1 PIPERIDINYL DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY CCR1, CCR2, CCR3 ATR 4128/4885METAP1 593/4885NPSR1 576/4885
US-20050054627-A1 Cyclic derivatives as modulators of chemokine receptor activity CCL11, CCL2, CCR1 ATR 4562/4885METAP1 230/4885NPSR1 310/4885

“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.