SCHEMBL3857094

SCHEMBL3857094

CC(C)N1CCN(C(=O)C2CCNCC2)C[C@@H]1C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 5/20 0.45
CHRNA3 P32297 5/20 0.45
CHRNA4 P43681 5/20 0.45
CHRNB3 Q05901 3/20 0.45
CHRNA6 Q15825 3/20 0.45
HRH3 Q9Y5N1 1/20 0.40
KDM1A O60341 1/20 0.36
TSHR P16473 3/20 0.36
ALDH1A1 P00352 1/20 0.36
CHRNB4 P30926 2/20 0.36
CHRNA7 P36544 2/20 0.36
EGLN1 Q9GZT9 1/20 0.35
MAPT P10636 1/20 0.35
GABRP O00591 1/20 0.34
GABRD O14764 1/20 0.34
GABRA1 P14867 1/20 0.34
GABRB1 P18505 1/20 0.34
GABRG2 P18507 1/20 0.34
GABRB3 P28472 1/20 0.34
GABRA5 P31644 1/20 0.34

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
SCHEMBL3857098 1.00 CHRNB2 (0.45) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
Hydrochloric Acid SCHEMBL3860655 0.99 CHRNB2 (0.44) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
Hydrochloric Acid SCHEMBL3860651 0.99 CHRNB2 (0.44) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL4668416 0.92 CHRNB2 (0.36) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL5195512 0.92 CHRNB2 (0.36) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL4668634 0.78 HRH3 (0.42) HRH3TSHRALDH1A1CNR1LMNA
SCHEMBL3856734 0.76 CHRNB2 (0.56) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL3867174 0.76 HPGD (0.58) HRH3ALDH1A1MAPTHTTHPGD
SCHEMBL3863795 0.76 HPGD (0.58) HRH3ALDH1A1MAPTHTTHPGD
Hydrochloric Acid SCHEMBL3867242 0.75 CHRNB2 (0.55) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6

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 CHRNB2 278/4885CHRNA3 133/4885CHRNA4 99/4885

“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.