SCHEMBL3857552

SCHEMBL3857552

Cc1cc(N2CCC(C(=O)N3CCCN(C(C)C)CC3)CC2)c2ccccc2n1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 5/20 0.56
KMT2A Q03164 3/20 0.52
MEN1 O00255 2/20 0.52
HRH3 Q9Y5N1 2/20 0.51
ADRB2 P07550 1/20 0.47
ADRB1 P08588 1/20 0.47
USP2 O75604 2/20 0.46
HSD17B10 Q99714 2/20 0.46
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.44
PKM P14618 1/20 0.44
MAPK1 P28482 1/20 0.44
HTT P42858 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
Hydrochloric Acid SCHEMBL4689232 0.99 NCF1 (0.55) NCF1KMT2AMEN1HRH3ADRB2
SCHEMBL13683684 0.96 NCF1 (0.60) NCF1KMT2AMEN1ADRB2ADRB1
Hydrochloric Acid SCHEMBL4692991 0.95 NCF1 (0.59) NCF1KMT2AMEN1ADRB2ADRB1
SCHEMBL30060832 0.81 NCF1 (0.62) NCF1KMT2AMEN1ADRB2ADRB1
SCHEMBL13683676 0.79 HRH3 (0.65) KMT2AMEN1HRH3ALDH1A1MAPK1
SCHEMBL13683680 0.78 HRH3 (0.60) KMT2AMEN1HRH3USP2HSD17B10
Hydrochloric Acid SCHEMBL3863838 0.78 HRH3 (0.64) KMT2AMEN1HRH3ALDH1A1MAPK1
Hydrochloric Acid SCHEMBL3868535 0.78 HRH3 (0.59) KMT2AMEN1HRH3USP2HSD17B10
SCHEMBL30058792 0.77 NCF1 (0.59) NCF1KMT2AMEN1ADRB2ADRB1
SCHEMBL23362124 0.77 NCF1 (0.61) NCF1KMT2AMEN1ADRB2ADRB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-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
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
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 NCF1 4114/4885KMT2A 371/4885MEN1 4451/4885

“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.