SCHEMBL5046635

SCHEMBL5046635

O=C(c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1)N1CCN(c2ccc(C(F)(F)F)cc2)CC1

nearest known ligand 0.80

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 10/20 0.80
SLC6A5 Q9Y345 6/20 0.68
SMN1; SMN2 Q16637 1/20 0.60
USP2 O75604 1/20 0.56
LMNA P02545 1/20 0.56
ALDH1A1 P00352 2/20 0.55
KDM4E B2RXH2 1/20 0.55
HPGD P15428 1/20 0.55
HTT P42858 1/20 0.55
HSD17B10 Q99714 1/20 0.55
PKM P14618 1/20 0.54
IDE P14735 1/20 0.54
KMT2A Q03164 1/20 0.53
MAPT P10636 1/20 0.53

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
SCHEMBL3916629 0.89 SLC6A9 (0.82) SLC6A9SLC6A5IDE
SCHEMBL8294249 0.89 SLC6A9 (1.00) SLC6A9SLC6A5IDE
SCHEMBL3923151 0.87 SLC6A9 (0.82) SLC6A9SLC6A5IDE
SCHEMBL3919952 0.87 SLC6A9 (0.81) SLC6A9SLC6A5IDE
SCHEMBL3919039 0.87 SLC6A9 (0.81) SLC6A9SLC6A5IDE
SCHEMBL3919040 0.85 SLC6A9 (0.78) SLC6A9SLC6A5IDE
SCHEMBL3922517 0.84 SLC6A9 (0.77) SLC6A9SLC6A5IDE
SCHEMBL3928202 0.84 SLC6A9 (0.77) SLC6A9SLC6A5IDE
SCHEMBL3917806 0.83 SLC6A9 (0.71) SLC6A9SLC6A5IDE
SCHEMBL14403076 0.83 SLC6A9 (0.74) SLC6A9SLC6A5ALDH1A1IDE

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 8 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-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
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 2174/4885SMN1; SMN2 227/4885
US-20090192136-A1 BENZOYL-PIPERAZINE DERIVATIVES OPRL1, ACHE, PNMT SLC6A9 4305/4885SLC6A5 2174/4885SMN1; SMN2 227/4885

“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.