SCHEMBL3857950

SCHEMBL3857950

CC1CN(C(=O)C2CCN(c3ccc(C#N)cc3)CC2)CCN1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.48
TACR3 P29371 3/20 0.47
FFAR2 O15552 1/20 0.46
FASN P49327 1/20 0.46
MLNR O43193 4/20 0.45
CTSS P25774 1/20 0.44
CTSK P43235 1/20 0.44
MEN1 O00255 1/20 0.44
PAX8 Q06710 1/20 0.44
MMP2 P08253 1/20 0.43
MMP13 P45452 1/20 0.43
TDP1 Q9NUW8 1/20 0.42
DPP4 P27487 1/20 0.41
NOTUM Q6P988 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
SCHEMBL3858238 1.00 KDM1A (0.48) KDM1ATACR3FFAR2FASNMLNR
SCHEMBL3857946 1.00 KDM1A (0.48) KDM1ATACR3FFAR2FASNMLNR
Hydrochloric Acid SCHEMBL5758771 0.88 MMP2 (0.52) KDM1ATACR3FFAR2FASNCTSS
Hydrochloric Acid SCHEMBL3859529 0.88 MMP2 (0.52) KDM1ATACR3FFAR2FASNCTSS
SCHEMBL3862814 0.86 CHRNB2 (0.53) KDM1ATACR3FFAR2FASNCTSS
Hydrochloric Acid SCHEMBL3856891 0.85 CHRNB2 (0.51) KDM1ATACR3FFAR2FASNCTSS
SCHEMBL6787504 0.83 LSS (0.51)
Hydrochloric Acid SCHEMBL3857140 0.81 CTSS (0.47) KDM1ATACR3FFAR2FASNCTSS
SCHEMBL13683836 0.80 TACR3 (0.49) KDM1ATACR3FFAR2FASNCTSS
SCHEMBL13683678 0.80 CTSS (0.46) KDM1ATACR3FFAR2FASNCTSS

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 6 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
CN-1809553-A Piperazine derivatives and their use in the treatment of neurological and psychiatric disorders GLAXO GROUP LTD (GB) 2006-07-26 CN 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 KDM1A 1174/4885TACR3 1676/4885FFAR2 1628/4885

“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.