SCHEMBL3860897

SCHEMBL3860897

O=C(C1CCN(c2ccc(C(F)(F)F)cn2)CC1)N1CCN(C2CCC2)CC1

nearest known ligand 0.65

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.65
LMNA P02545 2/20 0.65
ABL1 P00519 1/20 0.65
HRH3 Q9Y5N1 5/20 0.57
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
ALDH1A1 P00352 1/20 0.55
SMN1; SMN2 Q16637 2/20 0.53
HPGD P15428 1/20 0.53
CYP1A2 P05177 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
POLB P06746 1/20 0.52
L3MBTL1 Q9Y468 6/20 0.52
HTT P42858 2/20 0.51
MAPT P10636 1/20 0.51
CHRM4 P08173 1/20 0.51
DPP4 P27487 1/20 0.49

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
SCHEMBL1778495 0.84 KDM4E (0.57) KDM4ELMNAABL1HRH3MEN1
SCHEMBL13683689 0.83 HRH3 (0.53) KDM4ELMNAABL1HRH3MEN1
SCHEMBL3967944 0.83 KDM4E (0.58) KDM4ELMNAABL1HRH3MEN1
SCHEMBL3771336 0.83 SMN1; SMN2 (0.54) KDM4ELMNAABL1HRH3MEN1
SCHEMBL18544406 0.82 KDM4E (0.66) KDM4ELMNAABL1HRH3MEN1
Hydrochloric Acid SCHEMBL3858314 0.82 HRH3 (0.52) KDM4ELMNAABL1HRH3MEN1
SCHEMBL27728031 0.81 KDM4E (0.56) KDM4ELMNAABL1HRH3MEN1
SCHEMBL3857428 0.81 IRAK4 (0.54) HRH3CHRM4DPP4
SCHEMBL3773673 0.81 SMN1; SMN2 (0.54) KDM4ELMNAABL1HRH3MEN1
SCHEMBL327492 0.80 LMNA (0.78) KDM4ELMNAABL1HRH3MEN1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7592347-B2 Piperazine derivates and their use for the treatment of neurological and psychiatric diseases GLAXO GROUP LIMITED (GB) 2009-09-22 US claimed
EP-1615909-B1 PIPERAZINE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF NEUROLOGICAL AND PSYCHIATRIC DISEASES GLAXO GROUP LTD (GB) 2008-07-23 EP claimed
US-20070054917-A1 Piperazine derivates and their use for the treatment of neurological and psychiatric diseases GLAXO GROUP LIMITED (GB) 2007-03-08 US claimed
EP-1615909-A1 PIPERAZINE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF NEUROLOGICAL AND PSYCHIATRIC DISEASES GLAXO GROUP LIMITED (GB) 2006-01-18 EP claimed
WO-2004101546-A1 PIPERAZINE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF NEUROLOGICAL AND PSYCHIATRIC DISEASES GLAXO GROUP LIMITED (GB) 2004-11-25 WO claimed
US-7592347-B2 Piperazine derivates and their use for the treatment of neurological and psychiatric diseases GLAXO GROUP LIMITED (GB) 2009-09-22 US disclosed
US-20070054917-A1 Piperazine derivates and their use for the treatment of neurological and psychiatric diseases GLAXO GROUP LIMITED (GB) 2007-03-08 US 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-20070054917-A1 Piperazine derivates and their use for the treatment of neurological and psychiatric diseases GRIN2A, GRIK5, GRIN2C KDM4E 1271/4885LMNA 2264/4885ABL1 1867/4885

“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.