SCHEMBL2843705

SCHEMBL2843705

CCOc1cccc2[nH]c(CCCNC)nc12

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CBFB Q13951 1/20 0.49
PDE5A O76074 1/20 0.41
DRD4 P21917 2/20 0.40
DRD2 P14416 1/20 0.40
DRD3 P35462 1/20 0.40
TP53 P04637 1/20 0.39
G6PD P11413 1/20 0.39
ALDH1A1 P00352 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
SLC6A4 P31645 1/20 0.39
HRH1 P35367 1/20 0.39

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 0.87 HSD17B10 (0.44) CBFBTP53ALDH1A1SMN1; SMN2
SCHEMBL2842465 0.86 DRD2 (0.43) CBFBDRD4DRD2DRD3SLC6A4
SCHEMBL2848904 0.84 MCHR1 (0.38) DRD4DRD2DRD3ALDH1A1SMN1; SMN2
SCHEMBL2844507 0.82 PDE9A (0.38) DRD4DRD2DRD3SLC6A4HRH1
SCHEMBL2846182 0.81 CACNA1H (0.34) DRD4DRD2DRD3SLC6A4HRH1
SCHEMBL10767446 0.80 MGAM (0.42) CBFBALDH1A1
SCHEMBL2844595 0.80 TP53 (0.43) DRD4TP53G6PDALDH1A1SMN1; SMN2
SCHEMBL2842462 0.79 PSMB8 (0.43)
SCHEMBL2845527 0.75 RIPK1 (0.58)
SCHEMBL9306381 0.73 CBFB (0.59) CBFBPDE5ADRD4DRD2DRD3

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 CBFB 1515/4885PDE5A 1699/4885DRD4 925/4885

“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.