SCHEMBL686659

SCHEMBL686659

CCNC(=O)Nc1ccc(C(F)(F)F)cc1C(=O)NCC(=O)O

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 15/20 0.51
CCR5 P51681 4/20 0.48
ADRB2 P07550 1/20 0.47
HRH1 P35367 1/20 0.47
DRD3 P35462 1/20 0.47
GLP1R P43220 1/20 0.47
FFAR4 Q5NUL3 1/20 0.47
GPR119 Q8TDV5 1/20 0.47
PLK1 P53350 1/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
KCNH2 Q12809 1/20 0.44
GAA P10253 1/20 0.41
HTT P42858 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL2992224 0.89 CCR2 (0.50) CCR2CCR5ADRB2HRH1DRD3
SCHEMBL686710 0.86 PLK1 (0.56) CCR2PLK1MEN1KMT2AGAA
SCHEMBL2993504 0.86 CCR2 (0.61) CCR2CCR5ADRB2HRH1DRD3
SCHEMBL2981556 0.83 KCNQ3 (0.47) CCR2CCR5PLK1MEN1KMT2A
SCHEMBL13043841 0.83 MEN1 (0.47) CCR2CCR5PLK1MEN1KMT2A
SCHEMBL13754378 0.82 GRIK1 (0.55) MEN1KMT2AHTT
SCHEMBL13754401 0.81 EPHX2 (0.55) MEN1KMT2AHTT
SCHEMBL2995691 0.81 CCR2 (0.58) CCR2CCR5PLK1
SCHEMBL2993581 0.80 CCR2 (0.45) CCR2CCR5ADRB2HRH1DRD3
SCHEMBL3888117 0.80 CCR2 (0.50) CCR2CCR5ADRB2HRH1DRD3

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1667966-B1 N-ALKYLATED DIAMINOPROPANE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL MYERS SQUIBB CO (US) 2012-02-29 EP disclosed
US-7863333-B2 N-alkylated diaminopropane derivatives as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY (US) 2011-01-04 US disclosed
US-7776884-B2 Cyclic derivatives as modulators of chemokine receptors activity BRISTOL-MYERS SQUIBB COMPANY (US) 2010-08-17 US disclosed
EP-1667966-A4 N-ALKYLATED DIAMINOPROPANE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL MYERS SQUIBB CO (US) 2009-01-07 EP disclosed
EP-1660445-A4 LACTAMS OF ALKYLATED ACYCLIC DIAMINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL MYERS SQUIBB CO (US) 2008-07-16 EP disclosed
US-20080113976-A1 N-ALKYLATED DIAMINOPROPANE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB COMPANY 2008-05-15 US disclosed
US-7317019-B2 N-alkylated diaminopropane derivatives as modulators of chemokine receptor activity BRISTOL MYERS SQUIBB CO. (US) 2008-01-08 US disclosed
EP-1483241-A4 CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL MYERS SQUIBB CO (US) 2006-12-13 EP disclosed
US-7087604-B2 Cyclic derivatives as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY (US) 2006-08-08 US disclosed
US-20060135503-A1 Cyclic derivatives as modulators of chemokine receptors activity CHERNEY ROBERT J 2006-06-22 US disclosed
EP-1667966-A1 N-ALKYLATED DIAMINOPROPANE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY Bristol-Myers Squibb Company (US) 2006-06-14 EP disclosed
EP-1660445-A1 LACTAMS OF ALKYLATED ACYCLIC DIAMINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY Bristol-Myers Squibb Company (US) 2006-05-31 EP disclosed
US-20050065147-A1 N-alkylated diaminopropane derivatives as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY 2005-03-24 US disclosed
WO-2005021498-A1 LACTAMS OF ALKYLATED ACYCLIC DIAMINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB COMPANY (US) 2005-03-10 WO disclosed
WO-2005021499-A1 N-ALKYLATED DIAMINOPROPANE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB COMPANY (US) 2005-03-10 WO disclosed
US-20050043392-A1 Lactams of alkylated acyclic diamine derivatives as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY 2005-02-24 US disclosed
EP-1483241-A2 CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY Bristol-Myers Squibb Company (US) 2004-12-08 EP disclosed
US-20030216434-A1 Cyclic derivatives as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY 2003-11-20 US disclosed
WO-2003075853-A2 CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB COMPANY (US) 2003-09-18 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 (5 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-20080113976-A1 N-ALKYLATED DIAMINOPROPANE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY CCL11, CCR1, CCR2 CCR2 3/4885CCR5 19/4885ADRB2 635/4885
US-20050065147-A1 N-alkylated diaminopropane derivatives as modulators of chemokine receptor activity CCL11, CCR1, CCR2 CCR2 3/4885CCR5 19/4885ADRB2 635/4885
US-20060135503-A1 Cyclic derivatives as modulators of chemokine receptors activity CCL11, CCR1, CCL2 CCR2 10/4885CCR5 9/4885ADRB2 387/4885
US-20030216434-A1 Cyclic derivatives as modulators of chemokine receptor activity CCR1, CCL11, CXCR1 CCR2 10/4885CCR5 9/4885ADRB2 363/4885
US-20050043392-A1 Lactams of alkylated acyclic diamine derivatives as modulators of chemokine receptor activity CCL11, CCR1, CCL2 CCR2 4/4885CCR5 25/4885ADRB2 858/4885

“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.