SCHEMBL1780296

SCHEMBL1780296

O=C([C@@H]1CNCCN1)N1CCN(c2ccc(Cl)c(Cl)c2)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.54
MAPT P10636 6/20 0.51
SMN1; SMN2 Q16637 6/20 0.51
ADRB1 P08588 1/20 0.50
HTT P42858 6/20 0.49
MAPK1 P28482 1/20 0.49
LMNA P02545 3/20 0.47
ALDH1A1 P00352 2/20 0.47
TSHR P16473 1/20 0.47
RAB9A P51151 1/20 0.47
USP2 O75604 1/20 0.46
ALOX15 P16050 1/20 0.46
HSD17B10 Q99714 1/20 0.46
TP53 P04637 2/20 0.46
POLB P06746 1/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
CCR2 P41597 2/20 0.45
KCNH2 Q12809 2/20 0.45
ADAMTS5 Q9UNA0 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
SCHEMBL1780724 1.00 DPP4 (0.54) DPP4MAPTSMN1; SMN2ADRB1HTT
SCHEMBL1780297 1.00 DPP4 (0.54) DPP4MAPTSMN1; SMN2ADRB1HTT
Hydrochloric Acid SCHEMBL1778741 0.99 DPP4 (0.53) DPP4MAPTSMN1; SMN2ADRB1HTT
SCHEMBL1778194 0.81 CCR2 (0.68) DPP4MAPTSMN1; SMN2ADRB1HTT
SCHEMBL1943361 0.80 CCR2 (0.70) MAPTSMN1; SMN2HTTLMNATSHR
SCHEMBL1779767 0.80 KHK (0.54) MAPTSMN1; SMN2ADRB1HTTMAPK1
SCHEMBL1779768 0.80 KHK (0.54) MAPTSMN1; SMN2ADRB1HTTMAPK1
SCHEMBL1778633 0.79 CCR2 (0.69) DPP4MAPTSMN1; SMN2ADRB1HTT
SCHEMBL12603460 0.78 CCR2 (0.52) DPP4MAPTSMN1; SMN2HTTMAPK1
SCHEMBL12603432 0.78 CCR2 (0.70) DPP4MAPTSMN1; SMN2HTTMAPK1

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 5 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
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 DPP4 3389/4885MAPT 4777/4885SMN1; SMN2 4257/4885

“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.