SCHEMBL1778495

SCHEMBL1778495

O=C(C1CCCN(C2CC2)C1)N1CCN(c2ccc(C(F)(F)F)cn2)CC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.57
LMNA P02545 6/20 0.57
ABL1 P00519 1/20 0.57
SMN1; SMN2 Q16637 5/20 0.54
HPGD P15428 1/20 0.54
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
CYP1A2 P05177 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
POLB P06746 1/20 0.53
HTT P42858 5/20 0.52
MAPT P10636 3/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
PKM P14618 1/20 0.50
DPP4 P27487 2/20 0.49
DPP8 Q6V1X1 1/20 0.49
DPP7 Q9UHL4 1/20 0.49
ALDH1A1 P00352 3/20 0.49
HRH3 Q9Y5N1 2/20 0.48

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
SCHEMBL3860897 0.84 KDM4E (0.65) KDM4ELMNAABL1SMN1; SMN2HPGD
SCHEMBL1779227 0.84 POLB (0.56) MEN1KMT2APOLBMAPTL3MBTL1
SCHEMBL1777996 0.83 L3MBTL1 (0.47) KDM4ELMNAHPGDKMT2APOLB
SCHEMBL22517460 0.81 LMNA (0.55) KDM4ELMNAABL1SMN1; SMN2MEN1
SCHEMBL18544406 0.81 KDM4E (0.66) KDM4ELMNAABL1SMN1; SMN2HPGD
SCHEMBL1778180 0.80 KDM4E (0.63) KDM4ELMNASMN1; SMN2HPGDMEN1
SCHEMBL25219748 0.80 KDM4E (0.55) KDM4ELMNAABL1SMN1; SMN2HPGD
SCHEMBL31067914 0.80 KDM4E (0.55) KDM4ELMNAABL1SMN1; SMN2HPGD
Hydrochloric Acid SCHEMBL27620712 0.80 HRH3 (0.61) KDM4ELMNAABL1SMN1; SMN2HPGD
SCHEMBL3967944 0.78 KDM4E (0.58) KDM4ELMNAABL1SMN1; SMN2HPGD

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 KDM4E 4584/4885LMNA 4191/4885ABL1 1079/4885

“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.