SCHEMBL4497988

SCHEMBL4497988

CCOC(=O)CNC(=O)CC(C)(C)Nc1ccc(Cl)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.52
HTT P42858 2/20 0.47
KDM4E B2RXH2 1/20 0.47
MAPT P10636 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
ALDH1A1 P00352 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.43
CYP3A4 P08684 2/20 0.42
TP53 P04637 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
ABCB11 O95342 1/20 0.42
CYP1A2 P05177 1/20 0.42
TSHR P16473 1/20 0.42
HTR2A P28223 1/20 0.42
PMP22 Q01453 1/20 0.42
PPARA Q07869 1/20 0.42
PPID Q08752 1/20 0.41
POLB P06746 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
SCHEMBL4492705 0.89 MAPT (0.51) GAAHTTKDM4EMAPTSMN1; SMN2
SCHEMBL4483007 0.83 POLB (0.41) GAASMN1; SMN2ALDH1A1TDP1L3MBTL1
SCHEMBL657243 0.75 KDM4E (0.64) GAAHTTKDM4EMAPTSMN1; SMN2
Hydrochloric Acid SCHEMBL11536222 0.74 MAPT (0.65) GAAHTTKDM4EMAPTSMN1; SMN2
SCHEMBL4488511 0.74 MIF (0.50) GAAMAPTSMN1; SMN2ALDH1A1TDP1
SCHEMBL10905935 0.73 GAA (0.51) GAAHTTKDM4EMAPTALDH1A1
SCHEMBL4485170 0.73 ABCB11 (0.56) GAAHTTKDM4EMAPTSMN1; SMN2
SCHEMBL1120589 0.73 GAA (0.59) GAAHTTKDM4EMAPTSMN1; SMN2
SCHEMBL10898232 0.73 MEN1 (0.72) GAAKDM4EMAPTSMN1; SMN2ALDH1A1
SCHEMBL11718681 0.72 PPARA (0.59) GAAHTTMAPTSMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8609664-B2 Piperazinyl derivatives as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB CO. (US) 2013-12-17 US disclosed
EP-1973880-B1 PIPERAZINYL DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL MYERS SQUIBB CO (US) 2013-08-07 EP disclosed
US-20090298845-A1 PIPERAZINYL DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB COMPANY 2009-12-03 US disclosed
US-20090298845-A1 PIPERAZINYL DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB COMPANY 2009-12-03 US disclosed
US-20090298845-A1 PIPERAZINYL DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB COMPANY 2009-12-03 US disclosed
US-7615556-B2 Piperazinyl derivatives as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY (US) 2009-11-10 US disclosed
US-7615556-B2 Piperazinyl derivatives as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY (US) 2009-11-10 US disclosed
US-7615556-B2 Piperazinyl derivatives as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY (US) 2009-11-10 US disclosed
CN-101410376-A Piperazinyl derivatives as modulators of chemokine receptor activity BRISTOL MYERS SQUIBB CO (US) 2009-04-15 CN disclosed
EP-1973880-A1 PIPERAZINYL DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY Brystol-Myers Squibb Company (US) 2008-10-01 EP disclosed
US-20070179148-A1 PIPERAZINYL DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB COMPANY 2007-08-02 US disclosed
US-20070179148-A1 PIPERAZINYL DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB COMPANY 2007-08-02 US disclosed
US-20070179148-A1 PIPERAZINYL DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB COMPANY 2007-08-02 US disclosed
WO-2007087585-A1 PIPERAZINYL DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB COMPANY (US) 2007-08-02 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 (2 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-20090298845-A1 PIPERAZINYL DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY CCR2, CCR5, CCR1 GAA 4607/4885HTT 4494/4885KDM4E 4576/4885
US-20070179148-A1 PIPERAZINYL DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY CCR2, CCR5, CCR1 GAA 4607/4885HTT 4494/4885KDM4E 4576/4885

“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.