SCHEMBL1779997

SCHEMBL1779997

CC(C)(C)OC(=O)N1CCN(CC2CCOC2)C[C@@H]1C(=O)N1CCN(c2ccc(Cl)c(Cl)c2)CC1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 3/20 0.42
MAPT P10636 3/20 0.42
MAPK1 P28482 1/20 0.42
HTT P42858 1/20 0.42
CNR1 P21554 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
NPBWR1 P48145 1/20 0.39
MCHR1 Q99705 1/20 0.39
RAB9A P51151 1/20 0.39
OPRK1 P41145 1/20 0.39
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37

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
SCHEMBL1778317 0.91 CNR1 (0.47) MAPTMAPK1HTTCNR1SMN1; SMN2
SCHEMBL4589063 0.88 ENPP2 (0.46) ENPP2MAPTMAPK1HTTSMN1; SMN2
SCHEMBL1777754 0.83 MAPT (0.54) MAPTMAPK1HTTSMN1; SMN2RAB9A
SCHEMBL1779447 0.83 MAPT (0.54) MAPTMAPK1HTTSMN1; SMN2RAB9A
SCHEMBL1778609 0.82 MAPT (0.47) MAPTMAPK1HTTCNR1SMN1; SMN2
SCHEMBL1779350 0.82 MAPT (0.46) MAPTMAPK1HTTCNR1SMN1; SMN2
SCHEMBL1778500 0.82 MAPT (0.46) MAPTMAPK1HTTSMN1; SMN2RAB9A
SCHEMBL1779662 0.81 MAPT (0.45) MAPTMAPK1HTTSMN1; SMN2RAB9A
SCHEMBL4650314 0.81 MAPT (0.48) MAPTMAPK1HTTSMN1; SMN2RAB9A
SCHEMBL1778958 0.80 MAPT (0.44) MAPTMAPK1HTTSMN1; SMN2RAB9A

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 6 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
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 ENPP2 900/4885MAPT 4777/4885MAPK1 1804/4885

“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.