SCHEMBL3921035

SCHEMBL3921035

CC(=O)c1ccc(N2CCNCC2)c(F)c1

nearest known ligand 0.75

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.60
HPGD P15428 4/20 0.60
L3MBTL1 Q9Y468 2/20 0.60
KMT2A Q03164 2/20 0.60
MAPT P10636 7/20 0.57
LMNA P02545 2/20 0.56
SMN1; SMN2 Q16637 3/20 0.55
RAB9A P51151 3/20 0.55
NPC1 O15118 2/20 0.55
MEN1 O00255 1/20 0.55
HTT P42858 1/20 0.55
TSHR P16473 1/20 0.52
POLB P06746 1/20 0.52
GAA P10253 1/20 0.52
SLC6A5 Q9Y345 3/20 0.51
SLC6A9 P48067 2/20 0.51

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
Piperazine SCHEMBL4934731 0.98 ALDH1A1 (0.59) ALDH1A1HPGDL3MBTL1KMT2AMAPT
SCHEMBL8226148 0.88 TTR (0.47) ALDH1A1HPGDL3MBTL1KMT2AMAPT
SCHEMBL2302437 0.86 MAPT (0.51) ALDH1A1HPGDL3MBTL1KMT2AMAPT
SCHEMBL3085306 0.85 MAPT (0.51) ALDH1A1HPGDL3MBTL1KMT2AMAPT
SCHEMBL5022275 0.84 NPC1 (0.52) ALDH1A1HPGDL3MBTL1KMT2AMAPT
SCHEMBL531792 0.84 MAPT (0.50) ALDH1A1HPGDL3MBTL1KMT2AMAPT
SCHEMBL30542902 0.84 MAPT (0.50) ALDH1A1HPGDL3MBTL1KMT2AMAPT
SCHEMBL937021 0.83 MAPT (0.66) ALDH1A1HPGDL3MBTL1KMT2AMAPT
SCHEMBL3922628 0.83 ALDH1A1 (0.49) ALDH1A1HPGDL3MBTL1KMT2AMAPT
Hydrochloric Acid SCHEMBL31032930 0.83 MAPT (0.49) ALDH1A1HPGDL3MBTL1KMT2AMAPT

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 45 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105712952-B 2-substituted oxy-5-methylsulfonyl phenyl piperazine amide analogue and preparation method and application thereof 上海翰森生物医药科技有限公司 2021-03-26 CN disclosed
CN-1867554-B Piperazine with ortho-substituted phenyl and its use as GLYT1 inhibitors HOFFMANN LA ROCHE 2011-07-06 CN disclosed
US-7709492-B2 Pyrazolo-[4,3-e]-1,2,4-triazolo-[1,5-c]-pyrimidine adenosine A2a receptor antagonists SCHERING CORPORATION (US) 2010-05-04 US disclosed
US-7709492-B2 Pyrazolo-[4,3-e]-1,2,4-triazolo-[1,5-c]-pyrimidine adenosine A2a receptor antagonists SCHERING CORPORATION (US) 2010-05-04 US disclosed
US-7605163-B2 Benzoyl-piperazine derivatives HOFFMANN-LA ROCHE INC. (US) 2009-10-20 US disclosed
US-7595314-B2 Benzoyl-piperazine derivatives HOFFMANN-LA ROCHE INC. (US) 2009-09-29 US disclosed
US-20090192136-A1 BENZOYL-PIPERAZINE DERIVATIVES ALBERATI-GIANI DANIELA 2009-07-30 US disclosed
EP-1703909-B1 1-BENZOYL-PIPERAZINE DERIVATIVES AS GLYCINE UPTAKE INHIBITORS FOR THE TREATMENT OF PSYCHOSES HOFFMANN LA ROCHE (CH) 2009-04-15 EP disclosed
US-7462617-B2 Substituted acylpiperazine derivatives HOFFMANN-LA ROCHE INC. (US) 2008-12-09 US disclosed
US-20080287455-A1 SULFANYL SUBSTITUTED PHENYL METHANONES JOLIDON SYNESE 2008-11-20 US disclosed
WO-2006094842-A1 ACYLATED PIPERIDIHES AS GLYCINE TRANSPORTER INHIBITORS GLAXO GROUP LIMITED (GB) 2006-09-14 WO disclosed
US-20060149062-A1 Sulfanyl substituted phenyl methanones F. HOFFMANN-LA ROCHE AG (CH) 2006-07-06 US disclosed
US-20050209241-A1 Benzoyl-piperazine derivatives HOFFMANN-LA ROCHE INC. 2005-09-22 US disclosed
US-20050070539-A1 Benzoyl-piperazine derivatives F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) 2005-03-31 US disclosed
US-20050059668-A1 Substituted acylpiperazine derivatives F. HOFFMANN-LA ROCHE AG (CH) 2005-03-17 US disclosed
WO-2005023261-A1 1-BENZOYL-PIPERAZINE DERIVATIVES AS GLYCINE UPTAKE INHIBITORS FOR THE TREATMENT OF PSYCHOSES F. HOFFMANN-LA ROCHE AG (CH) 2005-03-17 WO disclosed
US-20040220194-A1 2-Alkynyl-and 2-alkenyl-pyrazolo-[4,3-e]-1,2,4-triazolo-[1,5-c]-pyrimidine adenosine A2a receptor antagonists SCHERING CORPORATION 2004-11-04 US disclosed
US-20040220194-A1 2-Alkynyl-and 2-alkenyl-pyrazolo-[4,3-e]-1,2,4-triazolo-[1,5-c]-pyrimidine adenosine A2a receptor antagonists SCHERING CORPORATION 2004-11-04 US disclosed
EP-0858453-A1 5-(ACETAMIDOMETHYL)-3-ARYLDIHYDROFURAN-2-ONE AND TETRAHYDROFURAN-2-ONE DERIVATIVES WITH ANTIBIOTIC ACTIVITY AstraZeneca AB (SE) 1998-08-19 EP disclosed
WO-1997014690-A1 5-(ACETAMIDOMETHYL)-3-ARYLDIHYDROFURAN-2-ONE AND TETRAHYDROFURAN-2-ONE DERIVATIVES WITH ANTIBIOTIC ACTIVITY ZENECA LIMITED (GB) 1997-04-24 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 (7 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-20050209241-A1 Benzoyl-piperazine derivatives SLC1A2, SLC18A2, SLC6A7 ALDH1A1 1436/4885HPGD 885/4885L3MBTL1 2359/4885
US-20060149062-A1 Sulfanyl substituted phenyl methanones SULT1A1, SULT2A1, SULT1E1 ALDH1A1 871/4885HPGD 1587/4885L3MBTL1 968/4885
US-20050059668-A1 Substituted acylpiperazine derivatives AGPAT5, ACHE, GRIK5 ALDH1A1 395/4885HPGD 1222/4885L3MBTL1 3524/4885
US-20050070539-A1 Benzoyl-piperazine derivatives OPRL1, ACHE, PNMT ALDH1A1 582/4885HPGD 1651/4885L3MBTL1 1777/4885
US-20090192136-A1 BENZOYL-PIPERAZINE DERIVATIVES OPRL1, ACHE, PNMT ALDH1A1 582/4885HPGD 1651/4885L3MBTL1 1777/4885
US-20040220194-A1 2-Alkynyl-and 2-alkenyl-pyrazolo-[4,3-e]-1,2,4-triazolo-[1,5-c]-pyrimidine adenosine A2a receptor antagonists ADORA2A, ADORA3, ADORA1 ALDH1A1 591/4885HPGD 2371/4885L3MBTL1 3697/4885
US-20080287455-A1 SULFANYL SUBSTITUTED PHENYL METHANONES SULT1A1, SULT2A1, SULT1E1 ALDH1A1 871/4885HPGD 1587/4885L3MBTL1 968/4885

“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.