SCHEMBL4497741

SCHEMBL4497741

O=C(NCC(=O)N1CCN(c2ccc(Cl)cc2)CC1)c1cccc(Cl)c1

nearest known ligand 0.81

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.81
NPC1 O15118 2/20 0.58
RAB9A P51151 2/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
HTR1A P08908 1/20 0.58
HTR7 P34969 1/20 0.58
POLB P06746 1/20 0.57
MEN1 O00255 1/20 0.55
MAPT P10636 2/20 0.54
GAA P10253 1/20 0.54
TP53 P04637 1/20 0.54
DRD2 P14416 3/20 0.53
DRD4 P21917 3/20 0.53
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2D6 P10635 1/20 0.53
PMP22 Q01453 1/20 0.53
ALDH1A1 P00352 1/20 0.52
LMNA P02545 1/20 0.52

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 0.89 KMT2A (0.75) KMT2ARAB9AHTR1AHTR7MEN1
SCHEMBL4507594 0.88 KMT2A (0.65) KMT2ANPC1RAB9AL3MBTL1HTR1A
SCHEMBL4499146 0.87 KMT2A (0.82) KMT2ARAB9APOLBMEN1MAPT
SCHEMBL4504314 0.80 KMT2A (0.62) KMT2ARAB9AL3MBTL1HTR1AHTR7
SCHEMBL2829679 0.79 KMT2A (0.62) KMT2ARAB9APOLBMAPTGAA
SCHEMBL14452365 0.79 KMT2A (0.61) KMT2ARAB9AMEN1MAPTGAA
SCHEMBL2829676 0.78 KMT2A (0.61) KMT2ARAB9APOLBMAPTGAA
SCHEMBL4499249 0.77 DRD2 (0.66) KMT2AHTR1AHTR7MEN1MAPT
SCHEMBL18232745 0.77 KMT2A (0.60) KMT2ANPC1RAB9AL3MBTL1POLB
SCHEMBL4502814 0.77 CCR1 (0.65) KMT2ANPC1RAB9AL3MBTL1CYP1A2

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
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 2333/4885NPC1 1454/4885RAB9A 1143/4885
US-20070179148-A1 PIPERAZINYL DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY CCR2, CCR5, CCR1 KMT2A 2333/4885NPC1 1454/4885RAB9A 1143/4885

“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.