SCHEMBL2935115

SCHEMBL2935115

CCOC(=O)CCC(=O)c1cc(Cl)ccc1O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.53
MEN1 O00255 4/20 0.53
HPGD P15428 4/20 0.53
LMNA P02545 4/20 0.52
HTT P42858 4/20 0.52
MAPT P10636 3/20 0.52
KDM4E B2RXH2 3/20 0.52
KCNH2 Q12809 2/20 0.52
PLA2G1B P04054 1/20 0.52
XBP1 P17861 1/20 0.52
ALOX12 P18054 1/20 0.52
ATG4B Q9Y4P1 1/20 0.52
SMN1; SMN2 Q16637 3/20 0.49
NPSR1 Q6W5P4 2/20 0.49
RAB9A P51151 2/20 0.48
MAPK1 P28482 2/20 0.48
NPC1 O15118 1/20 0.48
USP2 O75604 1/20 0.48
TP53 P04637 1/20 0.48
ALOX15 P16050 1/20 0.48

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
SCHEMBL6076944 0.93 KMT2A (0.52) KMT2AMEN1HPGDLMNAHTT
SCHEMBL25372638 0.89 KMT2A (0.46) KMT2AMEN1HPGDLMNAHTT
SCHEMBL11581595 0.88 MEN1 (0.50) KMT2AMEN1HPGDLMNAHTT
SCHEMBL25369810 0.87 MEN1 (0.44) KMT2AMEN1HPGDLMNAHTT
SCHEMBL6094414 0.87 KMT2A (0.62) KMT2AMEN1HPGDLMNAHTT
SCHEMBL25372549 0.86 MMEL1 (0.49) KMT2AMEN1HPGDLMNAHTT
SCHEMBL11583174 0.85 MAPT (0.55) KMT2AMEN1HPGDLMNAHTT
SCHEMBL25372223 0.84 FADS1 (0.47) KMT2AMEN1HPGDLMNAHTT
SCHEMBL25372530 0.82 HPGD (0.49) KMT2AMEN1HPGDLMNAHTT
SCHEMBL25371120 0.82 MCL1 (0.45) KMT2AMEN1HPGDLMNAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1438298-B1 PIPERAZINE DERIVATIVES WITH CCR1 RECEPTOR ANTAGONIST ACTIVITY PFIZER PROD INC (US) 2010-01-27 EP disclosed
US-7098212-B2 Piperazine derivatives BLUMBERG LAURA C 2006-08-29 US disclosed
EP-1583533-A1 USE OF PIPERAZINE DERIVATIVES AS CCR1 ANTAGONISTS Pfizer Products Inc. (US) 2005-10-12 EP disclosed
EP-1438298-A1 PIPERAZINE DERIVATIVES WITH CCR1 RECEPTOR ANTAGONIST ACTIVITY Pfizer Products Inc. (US) 2004-07-21 EP disclosed
US-20040092529-A1 Methods of using piperazine derivatives PFIZER INC 2004-05-13 US disclosed
WO-2004039376-A1 USE OF PIPERAZINE DERIVATIVES AS CCR1 ANTAGONISTS PFIZER PRODUCTS INC. (US) 2004-05-13 WO disclosed
US-20040034034-A1 Novel piperazine derivatives BLUMBERG LAURA C (US) 2004-02-19 US disclosed
WO-2003035627-A1 PIPERAZINE DERIVATIVES WITH CCR1 RECEPTOR ANTAGONIST ACTIVITY PFIZER PRODUCTS INC. (US) 2003-05-01 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-20040092529-A1 Methods of using piperazine derivatives CCR1, CCR3, CCR5 KMT2A 4125/4885MEN1 4618/4885HPGD 1457/4885
US-20040034034-A1 Novel piperazine derivatives CCR1, CCRL2, CCR5 KMT2A 3932/4885MEN1 4737/4885HPGD 2160/4885

“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.