SCHEMBL2848085

SCHEMBL2848085

COc1cc2nc(CCCN(C)C(=O)OCc3ccccc3)[nH]c2cc1OC

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.46
RXFP1 Q9HBX9 1/20 0.44
CACNA1G O43497 3/20 0.43
SRD5A1 P18405 1/20 0.42
SRD5A2 P31213 1/20 0.42
AAK1 Q2M2I8 1/20 0.41
STING1 Q86WV6 1/20 0.40
MAPT P10636 2/20 0.39
MAPK1 P28482 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
F10 P00742 1/20 0.39
KDM4E B2RXH2 2/20 0.39
ITGB3 P05106 1/20 0.39
ITGAV P06756 1/20 0.39
PDE3B Q13370 1/20 0.39
PDE3A Q14432 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 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
SCHEMBL7330117 0.88 RXFP1 (0.50) PDE10ARXFP1SRD5A1SRD5A2AAK1
SCHEMBL2313323 0.84 CACNA1H (0.46) RXFP1CACNA1GSTING1MAPTMEN1
SCHEMBL1083330 0.81 PDE4A (0.44) RXFP1STING1ITGB3ITGAV
SCHEMBL8326626 0.79 NPC1 (0.52) MAPTSMN1; SMN2KDM4ETDP1
SCHEMBL8329019 0.74 ITGB3 (0.45) PDE10ACACNA1GMAPTMAPK1SMN1; SMN2
SCHEMBL2846220 0.72 RAF1 (0.41) RXFP1STING1SMN1; SMN2MEN1KMT2A
SCHEMBL6951310 0.71 ITGB3 (0.48) PDE10AMAPTMAPK1SMN1; SMN2KDM4E
SCHEMBL2846213 0.71 POLB (0.45) AAK1STING1SMN1; SMN2MEN1KMT2A
SCHEMBL25526046 0.71 ALDH1A1 (0.49) MAPTMAPK1TDP1KMT2A
SCHEMBL393422 0.71 HTT (0.52) RXFP1MAPTMAPK1SMN1; SMN2TDP1

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 PDE10A 1104/4885RXFP1 157/4885CACNA1G 16/4885

“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.