SCHEMBL1778652

SCHEMBL1778652

O=C([C@H]1CCCN(C2CC2)C1)N1CCN(c2ccc(Cl)c(Cl)c2)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.52
MAPT P10636 3/20 0.50
NOTUM Q6P988 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
GFER P55789 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.48
MAPK1 P28482 1/20 0.48
HTT P42858 1/20 0.48
CCR2 P41597 3/20 0.47
KCNH2 Q12809 3/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
RAB9A P51151 1/20 0.46
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 1/20 0.46
USP2 O75604 1/20 0.46
ALOX15 P16050 1/20 0.46
HSD17B10 Q99714 1/20 0.46
ENPP2 Q13822 2/20 0.45
TDP1 Q9NUW8 1/20 0.45

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 1.00 KMT2A (0.52) KMT2AMAPTNOTUMSMN1; SMN2GFER
SCHEMBL4649660 0.91 KHK (0.47) KMT2AMAPTNOTUMSMN1; SMN2GFER
SCHEMBL1779017 0.86 L3MBTL1 (0.56) KMT2AMAPTNOTUMSMN1; SMN2GFER
SCHEMBL1779516 0.85 KMT2A (0.53) KMT2AMAPTNOTUMSMN1; SMN2GFER
SCHEMBL14495739 0.81 ALDH1A1 (0.52) KMT2AMAPTSMN1; SMN2GFERL3MBTL1
SCHEMBL1778633 0.81 CCR2 (0.69) KMT2AMAPTNOTUMSMN1; SMN2MAPK1
SCHEMBL1778139 0.80 MAPT (0.46) KMT2AMAPTNOTUMSMN1; SMN2GFER
SCHEMBL1778267 0.79 MAPT (0.52) KMT2AMAPTNOTUMSMN1; SMN2L3MBTL1
SCHEMBL1780218 0.79 HRH3 (0.56) KMT2AMAPTSMN1; SMN2L3MBTL1MAPK1
SCHEMBL1778164 0.79 CCR2 (0.64) MAPTNOTUMSMN1; SMN2MAPK1HTT

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 KMT2A 4433/4885MAPT 4777/4885NOTUM 4391/4885

“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.