SCHEMBL3859906

SCHEMBL3859906

N#Cc1cc(F)c(N2CCC(C(=O)N3CCN(C4CCC4)CC3)CC2)c(F)c1

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 9/20 0.49
IRAK4 Q9NWZ3 4/20 0.46
ATR Q13535 1/20 0.43
MGLL Q99685 2/20 0.43
CHRM4 P08173 2/20 0.41
KCNH2 Q12809 1/20 0.41

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
SCHEMBL3857856 0.81 HRH3 (0.52) HRH3MGLLCHRM4
SCHEMBL3859926 0.80 HRH3 (0.61) HRH3IRAK4KCNH2
Hydrochloric Acid SCHEMBL3862015 0.80 HRH3 (0.51) HRH3MGLLCHRM4
SCHEMBL3858253 0.79 HRH3 (0.46) HRH3IRAK4CHRM4
SCHEMBL3865348 0.78 HRH3 (0.58) HRH3IRAK4MGLLKCNH2
SCHEMBL30462894 0.78 HRH3 (0.52) HRH3KCNH2
SCHEMBL4689478 0.78 HRH3 (0.41) HRH3IRAK4CHRM4KCNH2
SCHEMBL3861953 0.77 HRH3 (0.57) HRH3IRAK4KCNH2
Hydrochloric Acid SCHEMBL3861516 0.77 HRH3 (0.57) HRH3IRAK4MGLLKCNH2
SCHEMBL3863873 0.77 CHRM4 (0.44) HRH3CHRM4KCNH2

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-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
EP-1615909-B1 PIPERAZINE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF NEUROLOGICAL AND PSYCHIATRIC DISEASES GLAXO GROUP LTD (GB) 2008-07-23 EP 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 HRH3 1322/4885IRAK4 2812/4885ATR 3320/4885

“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.