SCHEMBL3929396

SCHEMBL3929396

CC(=O)c1ccc(N2CCN(C(=O)c3cc(C#N)ccc3N3CCCC3CO)CC2)c(F)c1

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 14/20 0.67
SLC6A5 Q9Y345 6/20 0.67
ALDH1A1 P00352 3/20 0.48
HPGD P15428 2/20 0.48
MAPT P10636 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
MEN1 O00255 1/20 0.48
NPC1 O15118 1/20 0.48
HTT P42858 1/20 0.48
RAB9A P51151 1/20 0.48
KMT2A Q03164 1/20 0.48
KCNH2 Q12809 1/20 0.47
LMNA P02545 1/20 0.47

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
SCHEMBL3929397 1.00 SLC6A9 (0.67) SLC6A9SLC6A5ALDH1A1HPGDMAPT
SCHEMBL3920713 0.89 SLC6A9 (0.70) SLC6A9SLC6A5ALDH1A1HPGDMAPT
SCHEMBL3919792 0.85 SLC6A9 (0.67) SLC6A9SLC6A5KCNH2
SCHEMBL3919789 0.85 SLC6A9 (0.67) SLC6A9SLC6A5KCNH2
SCHEMBL3931289 0.85 SLC6A9 (0.83) SLC6A9SLC6A5ALDH1A1HPGDMAPT
SCHEMBL3922502 0.84 SLC6A5 (0.72) SLC6A9SLC6A5ALDH1A1HPGDMAPT
SCHEMBL3924575 0.84 SLC6A5 (0.72) SLC6A9SLC6A5ALDH1A1HPGDMAPT
SCHEMBL3922508 0.84 SLC6A5 (0.72) SLC6A9SLC6A5ALDH1A1HPGDMAPT
SCHEMBL3917813 0.84 SLC6A9 (0.82) SLC6A9SLC6A5ALDH1A1HPGDMAPT
SCHEMBL3931211 0.84 SLC6A9 (0.82) SLC6A9SLC6A5ALDH1A1HPGDMAPT

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
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
US-7427612-B2 Benzoyl-piperazine derivatives HOFFMANN-LA ROCHE INC. (US) 2008-09-23 US disclosed
EP-1663232-B1 1-(2-AMINO-BENZOYL)-PIPERAZINE DERIVATIVES AS GLYCINE UPTAKE INHIBITORS FOR THE TREATMENT OF PSYCHOSES HOFFMANN LA ROCHE (CH) 2007-10-03 EP disclosed
US-20050070539-A1 Benzoyl-piperazine derivatives F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) 2005-03-31 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 (2 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-20050070539-A1 Benzoyl-piperazine derivatives OPRL1, ACHE, PNMT SLC6A9 4305/4885SLC6A5 2174/4885ALDH1A1 582/4885
US-20090192136-A1 BENZOYL-PIPERAZINE DERIVATIVES OPRL1, ACHE, PNMT SLC6A9 4305/4885SLC6A5 2174/4885ALDH1A1 582/4885

“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.