SCHEMBL4499249

SCHEMBL4499249

O=C(NCCC(=O)N1CCN(c2ccc(Cl)cc2)CC1)c1ccccc1

nearest known ligand 0.70

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.66
DRD4 P21917 1/20 0.66
KDM4E B2RXH2 1/20 0.65
HTT P42858 1/20 0.65
KMT2A Q03164 4/20 0.64
MAPT P10636 2/20 0.64
MEN1 O00255 2/20 0.64
HTR7 P34969 2/20 0.62
HTR1A P08908 2/20 0.62
ALDH1A1 P00352 2/20 0.60
LMNA P02545 1/20 0.60
USP2 O75604 1/20 0.58
GFER P55789 2/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
CCR1 P32246 2/20 0.57
ATM Q13315 1/20 0.56
HDAC1 Q13547 1/20 0.55

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
SCHEMBL4490180 0.94 KMT2A (0.64) DRD2DRD4KDM4EHTTKMT2A
SCHEMBL4507594 0.90 KMT2A (0.65) DRD2DRD4KDM4EKMT2AMAPT
SCHEMBL15164218 0.88 POLB (0.71) DRD2DRD4KMT2AMAPTMEN1
SCHEMBL4489544 0.88 KMT2A (0.75) DRD2DRD4KDM4EKMT2AMAPT
SCHEMBL4487632 0.86 GFER (0.71) KMT2AMAPTMEN1HTR7HTR1A
SCHEMBL4499146 0.81 KMT2A (0.82) DRD2KDM4EHTTKMT2AMAPT
SCHEMBL19478846 0.79 KDM4E (0.62) KDM4EHTTKMT2AMEN1HTR7
SCHEMBL2824683 0.78 MAPT (1.00) HTTKMT2AMAPTMEN1HTR7
SCHEMBL4497741 0.77 KMT2A (0.81) DRD2DRD4KMT2AMAPTMEN1
SCHEMBL17994013 0.77 KDM4E (0.63) KDM4EHTTKMT2ASMN1; SMN2CCR1

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 claimed
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
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
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 DRD2 1680/4885DRD4 2748/4885KDM4E 4576/4885
US-20070179148-A1 PIPERAZINYL DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY CCR2, CCR5, CCR1 DRD2 1680/4885DRD4 2748/4885KDM4E 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.