SCHEMBL3857589

SCHEMBL3857589

N#Cc1ccc(N2CCC(C(=O)N3CCCN(C4CCC4)CC3)CC2)cc1C(F)(F)F

nearest known ligand 0.50

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 6/20 0.50
POLB P06746 1/20 0.46
AR P10275 5/20 0.45
HRH3 Q9Y5N1 6/20 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
SCHEMBL3859026 0.97 NOTUM (0.50) NOTUMPOLBARHRH3
SCHEMBL3863873 0.87 CHRM4 (0.44) HRH3
SCHEMBL3859435 0.85 AR (0.49) NOTUMARHRH3
SCHEMBL3858253 0.84 HRH3 (0.46) POLBHRH3
SCHEMBL3858338 0.84 HRH3 (0.64) NOTUMPOLBARHRH3
Hydrochloric Acid SCHEMBL3865351 0.83 HRH3 (0.62) NOTUMPOLBARHRH3
SCHEMBL3861953 0.81 HRH3 (0.57) HRH3
Hydrochloric Acid SCHEMBL3879990 0.80 HRH3 (0.56) HRH3
SCHEMBL25209622 0.78 NOTUM (0.59) NOTUMAR
SCHEMBL3867191 0.78 HRH3 (0.45) POLBHRH3

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
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
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 NOTUM 2880/4885POLB 2331/4885AR 3917/4885

“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.