SCHEMBL2844507

SCHEMBL2844507

CNCCCc1nc2c(OC(F)(F)F)cccc2[nH]1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE9A O76083 1/20 0.38
PDE1A P54750 1/20 0.38
PDE1B Q01064 1/20 0.38
PDE1C Q14123 1/20 0.38
DRD2 P14416 2/20 0.37
DRD4 P21917 2/20 0.37
DRD3 P35462 2/20 0.37
POLB P06746 2/20 0.36
HTT P42858 1/20 0.36
SLC40A1 Q9NP59 2/20 0.35
SLC6A4 P31645 1/20 0.35
HRH1 P35367 1/20 0.35
CACNA1H O95180 1/20 0.34

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
SCHEMBL2310462 0.85 HSD17B10 (0.44) POLBSLC40A1CACNA1H
SCHEMBL2843705 0.82 CBFB (0.49) DRD2DRD4DRD3SLC6A4HRH1
SCHEMBL2848904 0.81 MCHR1 (0.38) DRD2DRD4DRD3POLBSLC6A4
SCHEMBL2846182 0.81 CACNA1H (0.34) DRD2DRD4DRD3POLBHTT
SCHEMBL2842465 0.80 DRD2 (0.43) DRD2DRD4DRD3SLC40A1SLC6A4
SCHEMBL10767446 0.78 MGAM (0.42) POLB
SCHEMBL2842462 0.77 PSMB8 (0.43) POLBSLC40A1
SCHEMBL2845527 0.73 RIPK1 (0.58) POLBHTT
SCHEMBL2846504 0.71 HTT (0.44) POLBHTT
SCHEMBL9674862 0.70 MEN1 (0.58) DRD2DRD4DRD3POLB

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 PDE9A 2086/4885PDE1A 668/4885PDE1B 483/4885

“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.