SCHEMBL6806808

SCHEMBL6806808

O=S(=O)(/C=C/CCc1ncccn1)N1CCN(c2ncc(-c3ccccc3F)cn2)CC1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.41
DRD4 P21917 1/20 0.41
DRD3 P35462 1/20 0.41
POLB P06746 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
KDM4E B2RXH2 3/20 0.35
ALDH1A1 P00352 3/20 0.35
KMT2A Q03164 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
PKM P14618 1/20 0.35
LMNA P02545 3/20 0.35
MEN1 O00255 1/20 0.34
HTR1A P08908 1/20 0.34
ALOX5AP P20292 3/20 0.33
FEN1 P39748 3/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
APP P05067 1/20 0.33

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
SCHEMBL6807269 1.00 DRD2 (0.41) DRD2DRD4DRD3POLBSMN1; SMN2
SCHEMBL6811661 0.86 SLC6A7 (0.42) DRD2DRD4DRD3SMN1; SMN2KDM4E
SCHEMBL6811657 0.86 SLC6A7 (0.42) DRD2DRD4DRD3SMN1; SMN2KDM4E
SCHEMBL6811666 0.86 SLC6A7 (0.42) DRD2DRD4DRD3SMN1; SMN2KDM4E
SCHEMBL6645590 0.84 DRD2 (0.44) DRD2DRD4DRD3POLBSMN1; SMN2
SCHEMBL6806995 0.81 LMNA (0.41) SMN1; SMN2KDM4EALDH1A1KMT2AL3MBTL1
SCHEMBL6808189 0.81 LMNA (0.41) SMN1; SMN2KDM4EALDH1A1KMT2AL3MBTL1
SCHEMBL6806991 0.81 LMNA (0.41) SMN1; SMN2KDM4EALDH1A1KMT2AL3MBTL1
SCHEMBL6803436 0.80 SLC6A7 (0.40) DRD2DRD4DRD3SMN1; SMN2KDM4E
SCHEMBL6803438 0.80 SLC6A7 (0.40) DRD2DRD4DRD3SMN1; SMN2KDM4E

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 DRD2 2168/4885DRD4 2928/4885DRD3 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.