SCHEMBL4490180

SCHEMBL4490180

O=C(NCCC(=O)N1CCN(c2ccc(Cl)cc2)CC1)c1ccc(Cl)cc1

nearest known ligand 0.71

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.64
ALDH1A1 P00352 1/20 0.64
GFER P55789 1/20 0.64
POLB P06746 1/20 0.60
HDAC1 Q13547 1/20 0.58
DRD2 P14416 2/20 0.58
MEN1 O00255 1/20 0.57
MAPT P10636 1/20 0.57
DRD4 P21917 1/20 0.57
HTR1A P08908 2/20 0.56
HTR7 P34969 1/20 0.56
HTT P42858 2/20 0.56
KDM4E B2RXH2 1/20 0.56
AKR1C3 P42330 1/20 0.56
SMN1; SMN2 Q16637 2/20 0.55
NPSR1 Q6W5P4 1/20 0.55
TDP1 Q9NUW8 1/20 0.54

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
SCHEMBL15164218 0.94 POLB (0.71) KMT2AALDH1A1GFERPOLBHDAC1
SCHEMBL4499249 0.94 DRD2 (0.66) KMT2AALDH1A1GFERHDAC1DRD2
SCHEMBL4507594 0.88 KMT2A (0.65) KMT2AALDH1A1POLBHDAC1DRD2
SCHEMBL4499146 0.86 KMT2A (0.82) KMT2AGFERPOLBHDAC1DRD2
SCHEMBL4487632 0.84 GFER (0.71) KMT2AGFERHDAC1MEN1MAPT
SCHEMBL4489544 0.81 KMT2A (0.75) KMT2AALDH1A1GFERDRD2MEN1
SCHEMBL9987526 0.79 KMT2A (0.68) KMT2AALDH1A1GFERPOLBHDAC1
SCHEMBL2867356 0.78 AKR1C3 (0.69) KMT2AALDH1A1GFERPOLBHDAC1
SCHEMBL3999754 0.77 HDAC1 (0.82) KMT2AALDH1A1GFERPOLBHDAC1
SCHEMBL9287641 0.76 DRD2 (0.74) ALDH1A1POLBDRD2MAPTDRD4

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 KMT2A 2333/4885ALDH1A1 1198/4885GFER 3990/4885
US-20070179148-A1 PIPERAZINYL DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY CCR2, CCR5, CCR1 KMT2A 2333/4885ALDH1A1 1198/4885GFER 3990/4885

“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.