SCHEMBL1779017

SCHEMBL1779017

O=C(O)N1CCCC(C(=O)N2CCN(c3ccc(Cl)c(Cl)c3)CC2)C1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.56
NOTUM Q6P988 2/20 0.53
KMT2A Q03164 2/20 0.52
MAPT P10636 3/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
POLB P06746 3/20 0.48
HTT P42858 2/20 0.48
MAPK1 P28482 1/20 0.48
CCR2 P41597 1/20 0.47
KCNH2 Q12809 1/20 0.47
ALDH1A1 P00352 2/20 0.47
GFER P55789 1/20 0.47
MEN1 O00255 1/20 0.46
LMNA P02545 1/20 0.46
RECQL P46063 1/20 0.46
RAB9A P51151 1/20 0.46

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
SCHEMBL1777518 0.86 KMT2A (0.52) L3MBTL1NOTUMKMT2AMAPTSMN1; SMN2
SCHEMBL1778652 0.86 KMT2A (0.52) L3MBTL1NOTUMKMT2AMAPTSMN1; SMN2
SCHEMBL1778267 0.84 MAPT (0.52) L3MBTL1NOTUMKMT2AMAPTSMN1; SMN2
SCHEMBL4587250 0.81 MAPT (0.52) NOTUMKMT2AMAPTSMN1; SMN2POLB
SCHEMBL1945961 0.81 CCR2 (0.72) KMT2AMAPTCCR2KCNH2MEN1
SCHEMBL631834 0.80 MAPT (0.68) L3MBTL1NOTUMKMT2AMAPTSMN1; SMN2
SCHEMBL4497584 0.79 MAPT (0.53) L3MBTL1NOTUMKMT2AMAPTSMN1; SMN2
SCHEMBL4497570 0.79 MAPT (0.53) L3MBTL1NOTUMKMT2AMAPTSMN1; SMN2
SCHEMBL4497577 0.79 MAPT (0.53) L3MBTL1NOTUMKMT2AMAPTSMN1; SMN2
SCHEMBL1779767 0.79 KHK (0.54) NOTUMKMT2AMAPTSMN1; SMN2POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7943768-B2 Piperazine compounds useful as antagonists of C-C chemokines (Ccr2b and CcrS) for the treatment of inflammatory diseases ASTRAZENECA AB (SE) 2011-05-17 US disclosed
US-20080287453-A1 Piperazine Compounds Useful as Antagonists of C-C Chemokines (Ccr2b and Ccr5) for the Treatment of Inflammatory Diseases ASTRAZENECA AB (SE) 2008-11-20 US disclosed
EP-1966187-A1 PIPERAZINE COMPOUNDS USEFUL AS ANTAGONISTS OF C-C CHEMOKINES (CCR2B AND CCR5) FOR THE TREATMENT OF INFLAMMATORY DISEASES AstraZeneca AB (SE) 2008-09-10 EP disclosed
WO-2007071952-A1 PIPERAZINE COMPOUNDS USEFUL AS ANTAGONISTS OF C-C CHEMOKINES (CCR2B AND CCR5) FOR THE TREATMENT OF INFLAMMATORY DISEASES ASTRAZENECA AB (SE) 2007-06-28 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 (1 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-20080287453-A1 Piperazine Compounds Useful as Antagonists of C-C Chemokines (Ccr2b and Ccr5) for the Treatment of Inflammatory Diseases CCR2, CCR5, CCL2 L3MBTL1 1502/4885NOTUM 4391/4885KMT2A 4433/4885

“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.