SCHEMBL3859907

SCHEMBL3859907

O=C(C1CCN(c2cccc(C(F)(F)F)n2)CC1)N1CCN(C2CCC2)CC1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 9/20 0.51
POLB P06746 2/20 0.49
CHRM4 P08173 1/20 0.47
CCR2 P41597 1/20 0.46
KCNH2 Q12809 1/20 0.46
ALDH1A1 P00352 1/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
DGAT2 Q96PD7 1/20 0.44
ACACB O00763 1/20 0.44

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
SCHEMBL18544728 0.89 HRH3 (0.53) HRH3POLBCCR2KCNH2DGAT2
SCHEMBL13683689 0.83 HRH3 (0.53) HRH3POLBCHRM4ALDH1A1MEN1
SCHEMBL15291858 0.83 HRH3 (0.51) HRH3CCR2KCNH2MEN1KMT2A
Hydrochloric Acid SCHEMBL3858314 0.83 HRH3 (0.52) HRH3POLBCHRM4ALDH1A1MEN1
SCHEMBL3972995 0.82 HRH3 (0.55) HRH3
SCHEMBL3767559 0.82 IRAK4 (0.49) HRH3ALDH1A1MEN1KMT2A
SCHEMBL3860897 0.80 KDM4E (0.65) HRH3POLBCHRM4ALDH1A1MEN1
SCHEMBL15760384 0.79 CCR2 (0.53) HRH3CCR2KCNH2DGAT2ACACB
SCHEMBL3863261 0.79 HRH3 (0.68) HRH3POLBCHRM4ALDH1A1MEN1
SCHEMBL4322431 0.79 CCR2 (0.53) HRH3CCR2KCNH2MEN1KMT2A

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 HRH3 1322/4885POLB 2331/4885CHRM4 1153/4885

“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.