SCHEMBL3028641

SCHEMBL3028641

N#Cc1cccc(C2(Cl)CCC2)c1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
DRD2 P14416 4/20 0.41
DRD3 P35462 4/20 0.41
CNR2 P34972 1/20 0.40
HSD11B1 P28845 1/20 0.40
VNN1 O95497 2/20 0.39
ENPP2 Q13822 1/20 0.38
ABCC9 O60706 1/20 0.38
ABCC8 Q09428 1/20 0.38
KCNJ11 Q14654 1/20 0.38
KCNJ8 Q15842 1/20 0.38
PGR P06401 3/20 0.37
BACE1 P56817 1/20 0.36
CLK4 Q9HAZ1 1/20 0.36
TRPA1 O75762 1/20 0.36
NSD2 O96028 1/20 0.36
TSHR P16473 1/20 0.35

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
Hydrochloric Acid SCHEMBL3020633 0.77 AKT1 (0.43)
SCHEMBL7864097 0.75 SLC6A2 (0.47) SLC6A2SLC6A4DRD2DRD3CNR2
SCHEMBL7864096 0.75 SLC6A2 (0.44) SLC6A2SLC6A4DRD2DRD3CNR2
SCHEMBL23231697 0.74 HSD11B1 (0.41) SLC6A2SLC6A4HSD11B1ENPP2BACE1
SCHEMBL21452525 0.73 PGR (0.40) SLC6A2SLC6A4CNR2HSD11B1VNN1
SCHEMBL3032504 0.72 FBP1 (0.43) SLC6A2SLC6A4DRD2DRD3CNR2
SCHEMBL27602837 0.70 AKR1C1 (0.59) SLC6A2SLC6A4CNR2HSD11B1VNN1
SCHEMBL4701589 0.69 ICMT (0.42) SLC6A2SLC6A4DRD2DRD3CNR2
SCHEMBL2270824 0.69 DRD2 (0.46) SLC6A2SLC6A4DRD2DRD3CNR2
SCHEMBL10083343 0.69 HSD11B1 (0.50) CNR2HSD11B1VNN1

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 SLC6A2 66/4885SLC6A4 22/4885DRD2 30/4885

“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.