SCHEMBL1777757

SCHEMBL1777757

O=C(C1CN(Cc2ccccc2)CCN1)N1CCN(c2ccc(Cl)c(Cl)c2)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
MEN1 O00255 1/20 0.53
LMNA P02545 1/20 0.53
RECQL P46063 1/20 0.53
KMT2A Q03164 1/20 0.53
CCR2 P41597 4/20 0.53
KCNH2 Q12809 4/20 0.53
USP2 O75604 1/20 0.47
ALOX15 P16050 1/20 0.47
HSD17B10 Q99714 1/20 0.47
DPP4 P27487 1/20 0.46
MAPT P10636 2/20 0.45
MAPK1 P28482 1/20 0.45
CACNA1G O43497 1/20 0.45
BCL2A1 Q16548 1/20 0.44
CCR5 P51681 1/20 0.44
ADAMTS5 Q9UNA0 1/20 0.44
HTR7 P34969 2/20 0.44
HTR1A P08908 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
SCHEMBL1776872 1.00 HTT (0.53) HTTSMN1; SMN2MEN1LMNARECQL
SCHEMBL1776874 1.00 HTT (0.53) HTTSMN1; SMN2MEN1LMNARECQL
SCHEMBL1780257 0.86 CCR2 (0.70) HTTSMN1; SMN2MEN1LMNARECQL
SCHEMBL1778669 0.84 KCNH2 (0.54) HTTSMN1; SMN2MEN1LMNARECQL
SCHEMBL4650399 0.84 KCNH2 (0.54) HTTSMN1; SMN2MEN1LMNARECQL
SCHEMBL1778303 0.84 CCR2 (0.53) HTTSMN1; SMN2MEN1LMNARECQL
SCHEMBL1779007 0.84 CCR2 (0.53) HTTSMN1; SMN2MEN1LMNARECQL
SCHEMBL14495618 0.84 CCR2 (0.49) HTTSMN1; SMN2MEN1LMNARECQL
SCHEMBL1777761 0.83 CCR2 (0.55) HTTSMN1; SMN2MEN1LMNARECQL
SCHEMBL1777896 0.82 CCR2 (0.52) HTTSMN1; SMN2MEN1LMNARECQL

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 9 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
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 HTT 4706/4885SMN1; SMN2 4257/4885MEN1 4863/4885

“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.