SCHEMBL1779516

SCHEMBL1779516

O=C(C1CCCN(C2CC2)C1)N1CCN(c2cc(Cl)cc(Cl)c2)CC1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.53
L3MBTL1 Q9Y468 1/20 0.52
GFER P55789 1/20 0.51
CNR1 P21554 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
KDM2B Q8NHM5 1/20 0.46
NOTUM Q6P988 1/20 0.46
ALDH1A1 P00352 3/20 0.45
LMNA P02545 2/20 0.45
MAPK1 P28482 2/20 0.45
HTT P42858 1/20 0.45
MEN1 O00255 1/20 0.44
MAPT P10636 1/20 0.44
IDE P14735 1/20 0.44

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 0.85 KMT2A (0.52) KMT2AL3MBTL1GFERSMN1; SMN2NOTUM
SCHEMBL1778652 0.85 KMT2A (0.52) KMT2AL3MBTL1GFERSMN1; SMN2NOTUM
SCHEMBL1780218 0.81 HRH3 (0.56) KMT2AL3MBTL1SMN1; SMN2ALDH1A1MAPK1
SCHEMBL14495739 0.81 ALDH1A1 (0.52) KMT2AL3MBTL1GFERSMN1; SMN2ALDH1A1
SCHEMBL1777996 0.79 L3MBTL1 (0.47) KMT2AL3MBTL1GFERALDH1A1LMNA
SCHEMBL1780019 0.78 CTSS (0.52) KMT2AL3MBTL1GFERALDH1A1MEN1
SCHEMBL1778016 0.78 MEN1 (0.58) KMT2AL3MBTL1GFERALDH1A1LMNA
SCHEMBL1779227 0.78 POLB (0.56) KMT2AL3MBTL1GFERNOTUMALDH1A1
SCHEMBL4649660 0.77 KHK (0.47) KMT2AL3MBTL1GFERSMN1; SMN2NOTUM
SCHEMBL1779456 0.77 HRH1 (0.52) KMT2ASMN1; SMN2KDM2BALDH1A1LMNA

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 7 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-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-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
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
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
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 KMT2A 4433/4885L3MBTL1 1502/4885GFER 1365/4885

“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.