SCHEMBL6803436

SCHEMBL6803436

O=S(=O)(/C=C\CCCc1ncccn1)N1CCN(c2ncc(-c3ccc(F)cc3)cn2)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A7 Q99884 1/20 0.40
DRD2 P14416 5/20 0.39
DRD3 P35462 5/20 0.39
DRD4 P21917 3/20 0.39
HTR1A P08908 3/20 0.38
HTR2A P28223 3/20 0.38
LMNA P02545 3/20 0.38
DRD1 P21728 2/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
DRD5 P21918 1/20 0.38
PKM P14618 1/20 0.38
KDM4E B2RXH2 3/20 0.37
SIGMAR1 Q99720 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
ALDH1A1 P00352 1/20 0.36
TSHR P16473 1/20 0.36
HTT P42858 1/20 0.36
ADRA2C P18825 1/20 0.36
HTR2C P28335 1/20 0.36

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
SCHEMBL6803438 1.00 SLC6A7 (0.40) SLC6A7DRD2DRD3DRD4HTR1A
SCHEMBL6803441 1.00 SLC6A7 (0.40) SLC6A7DRD2DRD3DRD4HTR1A
SCHEMBL6811666 0.94 SLC6A7 (0.42) SLC6A7DRD2DRD3DRD4HTR1A
SCHEMBL6811657 0.94 SLC6A7 (0.42) SLC6A7DRD2DRD3DRD4HTR1A
SCHEMBL6811661 0.94 SLC6A7 (0.42) SLC6A7DRD2DRD3DRD4HTR1A
SCHEMBL6808518 0.85 SLC6A7 (0.38) SLC6A7LMNAKMT2AKDM4ESMN1; SMN2
SCHEMBL6802013 0.85 SLC6A7 (0.38) SLC6A7LMNAKMT2AKDM4ESMN1; SMN2
SCHEMBL5916480 0.83 LMNA (0.39) LMNAKMT2AMEN1PKMKDM4E
SCHEMBL6643214 0.83 MMP7 (0.42) LMNAKMT2AMEN1PKMKDM4E
SCHEMBL5916479 0.83 LMNA (0.39) LMNAKMT2AMEN1PKMKDM4E

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040180901-A1 Arylpiperazines and arylpiperidines and their use as metalloproteinase inhibiting agents ASTRAZENECA AB (SE) 2004-09-16 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 (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-20040180901-A1 Arylpiperazines and arylpiperidines and their use as metalloproteinase inhibiting agents MMP13, MMP3, MMP2 SLC6A7 236/4885DRD2 2168/4885DRD3 2441/4885

“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.