SCHEMBL3032504

SCHEMBL3032504

N#Cc1cccc(C2([N+](=O)[O-])CCC2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 3/20 0.43
HSD11B1 P28845 1/20 0.39
VNN1 O95497 2/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
KCNJ1 P48048 1/20 0.37
KCNH2 Q12809 1/20 0.37
CNR2 P34972 1/20 0.37
VCAM1 P19320 2/20 0.36
PGR P06401 2/20 0.36
BACE1 P56817 1/20 0.35
HTR6 P50406 1/20 0.35
NSD2 O96028 1/20 0.35
ABCC9 O60706 1/20 0.34
ABCC8 Q09428 1/20 0.34
KCNJ11 Q14654 1/20 0.34
KCNJ8 Q15842 1/20 0.34
DRD2 P14416 1/20 0.33
DRD3 P35462 1/20 0.33
ALOX5 P09917 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
SCHEMBL28838123 0.76 FBP1 (0.43) FBP1HSD11B1SLC6A2SLC6A4KCNJ1
SCHEMBL11461558 0.75 AKR1C1 (0.39)
SCHEMBL3028641 0.72 SLC6A2 (0.41) HSD11B1VNN1SLC6A2SLC6A4CNR2
Hydrochloric Acid SCHEMBL3020633 0.71 AKT1 (0.43)
SCHEMBL7864096 0.69 SLC6A2 (0.44) HSD11B1VNN1SLC6A2SLC6A4CNR2
SCHEMBL8317577 0.69 ALDH1A1 (0.36) HSD11B1SLC6A2SLC6A4BACE1ALOX5
SCHEMBL7864097 0.69 SLC6A2 (0.47) HSD11B1SLC6A2SLC6A4CNR2PGR
SCHEMBL23231697 0.68 HSD11B1 (0.41) HSD11B1SLC6A2SLC6A4BACE1ENPP2
SCHEMBL27602837 0.68 AKR1C1 (0.59) HSD11B1VNN1SLC6A2SLC6A4CNR2
SCHEMBL3832335 0.67 ALDH1A1 (0.41) FBP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100210680-A1 TRICYCLIC HETEROCYCLIC DERIVATIVES N.V. ORGANON 2010-08-19 US disclosed
EP-2203454-A1 TRICYCLIC HETEROCYCLIC DERIVATIVES N.V. Organon (NL) 2010-07-07 EP disclosed
WO-2009037220-A1 TRICYCLIC HETEROCYCLIC DERIVATIVES N.V. ORGANON (NL) 2009-03-26 WO 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-20100210680-A1 TRICYCLIC HETEROCYCLIC DERIVATIVES TPH1, HTR2C, TPH2 FBP1 1827/4885HSD11B1 95/4885VNN1 3771/4885

“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.