SCHEMBL4499146

SCHEMBL4499146

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

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.82
LMNA P02545 2/20 0.62
MAPT P10636 2/20 0.62
KDM4E B2RXH2 1/20 0.62
AKR1C3 P42330 1/20 0.58
GAA P10253 1/20 0.57
SMN1; SMN2 Q16637 3/20 0.57
HTT P42858 1/20 0.57
NPSR1 Q6W5P4 1/20 0.57
POLB P06746 1/20 0.56
ENPP2 Q13822 1/20 0.55
ME2 P23368 1/20 0.54
ME1 P48163 1/20 0.54
ME3 Q16798 1/20 0.54
RAB9A P51151 1/20 0.54
HDAC1 Q13547 1/20 0.54
DRD2 P14416 1/20 0.54
GFER P55789 1/20 0.53
HSP90AA1 P07900 1/20 0.53
MEN1 O00255 2/20 0.53

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
SCHEMBL4489544 0.93 KMT2A (0.75) KMT2ALMNAMAPTKDM4EAKR1C3
SCHEMBL4497741 0.87 KMT2A (0.81) KMT2ALMNAMAPTGAAPOLB
SCHEMBL4490180 0.86 KMT2A (0.64) KMT2AMAPTKDM4EAKR1C3SMN1; SMN2
SCHEMBL4504314 0.83 KMT2A (0.62) KMT2ALMNAMAPTAKR1C3SMN1; SMN2
SCHEMBL15164218 0.81 POLB (0.71) KMT2AMAPTPOLBHDAC1DRD2
SCHEMBL4499249 0.81 DRD2 (0.66) KMT2ALMNAMAPTKDM4ESMN1; SMN2
SCHEMBL14452365 0.80 KMT2A (0.61) KMT2ALMNAMAPTKDM4EGAA
SCHEMBL14317842 0.78 LMNA (0.68) KMT2ALMNAMAPTKDM4EAKR1C3
SCHEMBL6905218 0.78 KMT2A (0.60) KMT2ALMNAMAPTKDM4EAKR1C3
SCHEMBL2867356 0.77 AKR1C3 (0.69) KMT2ALMNAMAPTAKR1C3GAA

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 12 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
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

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 2333/4885LMNA 4043/4885MAPT 4559/4885
US-20070179148-A1 PIPERAZINYL DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY CCR2, CCR5, CCR1 KMT2A 2333/4885LMNA 4043/4885MAPT 4559/4885

“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.