SCHEMBL3858341

SCHEMBL3858341

CC(C)N1CCN(C(=O)C2CCN(c3ncc(Br)cn3)CC2)CC1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 13/20 0.52
PANK3 Q9H999 1/20 0.47
MMP2 P08253 1/20 0.45
MMP13 P45452 1/20 0.45
TIPARP Q7Z3E1 1/20 0.43
ACACB O00763 1/20 0.42
HCRTR1 O43613 1/20 0.41
HCRTR2 O43614 1/20 0.41
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
RIPK1 Q13546 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
SCHEMBL13683669 0.84 HRH3 (0.49) HRH3MMP2MMP13TIPARPHCRTR1
SCHEMBL24312738 0.83 TDP1 (0.50) PANK3TIPARPHCRTR1HCRTR2ALDH1A1
Hydrochloric Acid SCHEMBL3868661 0.83 HRH3 (0.48) HRH3MMP2MMP13TIPARPHCRTR1
SCHEMBL13683672 0.82 HRH3 (0.55) HRH3MMP2MMP13ALDH1A1GAA
SCHEMBL13683671 0.82 HRH3 (0.55) HRH3MMP2MMP13ALDH1A1GAA
Hydrochloric Acid SCHEMBL3863775 0.81 HRH3 (0.54) HRH3MMP2MMP13ALDH1A1GAA
Hydrochloric Acid SCHEMBL3865380 0.81 HRH3 (0.54) HRH3MMP2MMP13ALDH1A1GAA
SCHEMBL1743222 0.80 PANK3 (0.47) HRH3PANK3TIPARPACACBALDH1A1
SCHEMBL13683670 0.79 HRH3 (0.48) HRH3HCRTR1HCRTR2ALDH1A1GAA
SCHEMBL3863812 0.79 HRH3 (0.52) HRH3MMP2MMP13

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 5 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 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
EP-1615909-A1 PIPERAZINE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF NEUROLOGICAL AND PSYCHIATRIC DISEASES GLAXO GROUP LIMITED (GB) 2006-01-18 EP disclosed
WO-2004101546-A1 PIPERAZINE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF NEUROLOGICAL AND PSYCHIATRIC DISEASES GLAXO GROUP LIMITED (GB) 2004-11-25 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-20070054917-A1 Piperazine derivates and their use for the treatment of neurological and psychiatric diseases GRIN2A, GRIK5, GRIN2C HRH3 1322/4885PANK3 1553/4885MMP2 3657/4885

“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.