SCHEMBL5048418

SCHEMBL5048418

CC(=O)c1ccc(N2CCN(C(=O)c3cc([N+](=O)[O-])ccc3N(C)Cc3ccccc3)CC2)c(F)c1

nearest known ligand 0.77

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 11/20 0.77
SLC6A5 Q9Y345 8/20 0.77
KMT2A Q03164 3/20 0.59
MAPT P10636 3/20 0.59
POLB P06746 2/20 0.59
MEN1 O00255 2/20 0.59
LMNA P02545 1/20 0.59
MAPK1 P28482 1/20 0.59
ALDH1A1 P00352 2/20 0.56
THRB P10828 1/20 0.52
NPC1 O15118 1/20 0.51
HPGD P15428 1/20 0.51
HTT P42858 1/20 0.51
RAB9A P51151 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
TDP1 Q9NUW8 1/20 0.50
PAX8 Q06710 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
SCHEMBL5043578 0.89 SLC6A9 (0.83) SLC6A9SLC6A5KMT2AMAPTPOLB
SCHEMBL5039398 0.87 SLC6A9 (0.80) SLC6A9SLC6A5KMT2AMAPTPOLB
SCHEMBL5048765 0.87 SLC6A9 (0.80) SLC6A9SLC6A5KMT2AMAPTPOLB
SCHEMBL5044040 0.87 SLC6A9 (1.00) SLC6A9SLC6A5KMT2AMAPTPOLB
SCHEMBL5043084 0.87 SLC6A9 (0.70) SLC6A9SLC6A5KMT2AMAPTMEN1
SCHEMBL3917313 0.86 SLC6A9 (0.78) SLC6A9SLC6A5KMT2AMAPTPOLB
SCHEMBL5046664 0.85 SLC6A9 (0.77) SLC6A9SLC6A5KMT2AMAPTPOLB
SCHEMBL3921046 0.85 SLC6A9 (0.81) SLC6A9SLC6A5KMT2AMAPTPOLB
SCHEMBL3917807 0.84 SLC6A9 (0.63) SLC6A9SLC6A5KMT2AMAPTMEN1
SCHEMBL5043945 0.84 SLC6A9 (0.83) SLC6A9SLC6A5KMT2AMAPTPOLB

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
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

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-20090192136-A1 BENZOYL-PIPERAZINE DERIVATIVES OPRL1, ACHE, PNMT SLC6A9 4305/4885SLC6A5 2174/4885KMT2A 456/4885

“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.