SCHEMBL3921047

SCHEMBL3921047

N#Cc1ccc(N2CCN(C(=O)c3cc(S(=O)(=O)N4CCCC4)ccc3N3CCOCC3)CC2)cc1F

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 11/20 0.54
USP2 O75604 1/20 0.52
LMNA P02545 1/20 0.52
SLC6A5 Q9Y345 5/20 0.51
ALDH1A1 P00352 2/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
PKM P14618 1/20 0.50
HPGD P15428 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
TSHR P16473 1/20 0.48

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
SCHEMBL3920666 0.89 SLC6A9 (0.68) SLC6A9SLC6A5
SCHEMBL3927574 0.89 SLC6A9 (0.64) SLC6A9SLC6A5ALDH1A1
SCHEMBL3927211 0.87 SLC6A9 (0.58) SLC6A9SLC6A5
SCHEMBL3923160 0.86 SLC6A9 (0.56) SLC6A9SLC6A5
SCHEMBL3917377 0.86 SLC6A9 (0.66) SLC6A9SLC6A5
SCHEMBL3920064 0.86 SLC6A9 (0.55) SLC6A9SLC6A5
SCHEMBL3923165 0.85 SLC6A9 (0.67) SLC6A9SLC6A5
SCHEMBL4076508 0.84 SLC6A9 (0.55) SLC6A9SLC6A5
SCHEMBL3920341 0.84 SLC6A9 (0.58) SLC6A9ALDH1A1
SCHEMBL3928611 0.84 SLC6A9 (0.70) SLC6A9

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 11 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-7595314-B2 Benzoyl-piperazine derivatives HOFFMANN-LA ROCHE INC. (US) 2009-09-29 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
US-20090192136-A1 BENZOYL-PIPERAZINE DERIVATIVES ALBERATI-GIANI DANIELA 2009-07-30 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
US-7427612-B2 Benzoyl-piperazine derivatives HOFFMANN-LA ROCHE INC. (US) 2008-09-23 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 4305/4885USP2 4382/4885LMNA 4692/4885
US-20090192136-A1 BENZOYL-PIPERAZINE DERIVATIVES OPRL1, ACHE, PNMT SLC6A9 4305/4885USP2 4382/4885LMNA 4692/4885

“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.