SCHEMBL2842465

SCHEMBL2842465

CNCCCc1nc2c(OCCOC)cccc2[nH]1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.43
DRD4 P21917 2/20 0.43
DRD3 P35462 2/20 0.43
SLC6A4 P31645 2/20 0.42
HRH1 P35367 2/20 0.42
HTR1D P28221 1/20 0.37
HTR1B P28222 1/20 0.37
SLC40A1 Q9NP59 1/20 0.37
HTR1A P08908 1/20 0.36
CBFB Q13951 1/20 0.36
NOS2 P35228 1/20 0.36
HSD17B10 Q99714 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
SCHEMBL2843705 0.86 CBFB (0.49) DRD2DRD4DRD3SLC6A4HRH1
SCHEMBL2310462 0.86 HSD17B10 (0.44) SLC40A1CBFBHSD17B10
SCHEMBL2848904 0.81 MCHR1 (0.38) DRD2DRD4DRD3SLC6A4HRH1
SCHEMBL2844507 0.80 PDE9A (0.38) DRD2DRD4DRD3SLC6A4HRH1
SCHEMBL2846182 0.78 CACNA1H (0.34) DRD2DRD4DRD3SLC6A4HRH1
SCHEMBL10767446 0.77 MGAM (0.42) CBFB
SCHEMBL2842462 0.76 PSMB8 (0.43) SLC40A1
SCHEMBL2845527 0.75 RIPK1 (0.58)
SCHEMBL213419 0.74 DRD2 (0.44) DRD2DRD4DRD3CBFBHSD17B10
SCHEMBL3370975 0.72 DRD2 (0.48) DRD2DRD4DRD3HTR1DHTR1B

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
EP-2152670-B1 BRIDGED SIX-MEMBERED RING COMPOUNDS ACTELION PHARMACEUTICALS LTD (CH) 2013-12-25 EP disclosed
US-8202885-B2 Bridged six-membered ring compounds ACTELION PHARMACEUTICALS LTD. (CH) 2012-06-19 US disclosed
US-20100130545-A1 BRIDGED SIX-MEMBERED RING COMPOUNDS IDORSIA PHARMACEUTICALS LTD (CH) 2010-05-27 US disclosed
EP-2152670-A1 BRIDGED SIX-MEMBERED RING COMPOUNDS Actelion Pharmaceuticals Ltd. (CH) 2010-02-17 EP disclosed
WO-2008132679-A1 BRIDGED SIX-MEMBERED RING COMPOUNDS ACTELION PHARMACEUTICALS LTD (CH) 2008-11-06 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-20100130545-A1 BRIDGED SIX-MEMBERED RING COMPOUNDS CACNA1E, CACNA1B, CACNA1A DRD2 859/4885DRD4 925/4885DRD3 699/4885

“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.