SCHEMBL1778016

SCHEMBL1778016

CC(C)(C)c1ccc(N2CCN(C(=O)C3CCCN(C4CC4)C3)CC2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.58
KMT2A Q03164 3/20 0.58
MAPT P10636 3/20 0.52
ALDH1A1 P00352 3/20 0.52
CNR2 P34972 4/20 0.49
TDP1 Q9NUW8 1/20 0.48
GFER P55789 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
POLB P06746 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
KDM4E B2RXH2 1/20 0.46
HTT P42858 1/20 0.46
MAPK1 P28482 2/20 0.45
HRH3 Q9Y5N1 1/20 0.45
LMNA P02545 1/20 0.45
USP2 O75604 1/20 0.45
TP53 P04637 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
SCHEMBL1779227 0.88 POLB (0.56) MEN1KMT2AMAPTALDH1A1TDP1
SCHEMBL14495739 0.84 ALDH1A1 (0.52) MEN1KMT2AMAPTALDH1A1TDP1
SCHEMBL1779456 0.82 HRH1 (0.52) MEN1KMT2AMAPTALDH1A1TDP1
SCHEMBL1780218 0.81 HRH3 (0.56) MEN1KMT2AMAPTALDH1A1TDP1
SCHEMBL1780019 0.81 CTSS (0.52) MEN1KMT2AMAPTALDH1A1TDP1
SCHEMBL1778840 0.81 POLB (0.48) MEN1KMT2AMAPTALDH1A1TDP1
SCHEMBL1778652 0.79 KMT2A (0.52) MEN1KMT2AMAPTALDH1A1TDP1
SCHEMBL1777518 0.79 KMT2A (0.52) MEN1KMT2AMAPTALDH1A1TDP1
SCHEMBL1779516 0.78 KMT2A (0.53) MEN1KMT2AMAPTALDH1A1GFER
SCHEMBL22539688 0.76 NOTUM (0.50) MEN1KMT2AMAPTALDH1A1TDP1

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 8 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
CN-101384582-A Piperazine compounds useful as antagonists of C-C chemokines (CCR2B and CCR5) for the treatment of inflammatory diseases ASTRAZENECA AB (SE) 2009-03-11 CN 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 MEN1 4863/4885KMT2A 4433/4885MAPT 4777/4885

“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.