SCHEMBL2851707

SCHEMBL2851707

O=C(CCc1cncc2ccccc12)OC(=O)C(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.39
ADORA1 P30542 1/20 0.39
P2RX7 Q99572 1/20 0.38
CDYL Q9Y232 1/20 0.37
KDM4E B2RXH2 1/20 0.35
CCNC P24863 1/20 0.35
CDK8 P49336 1/20 0.35
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34
CASP1 P29466 1/20 0.34
TRPV1 Q8NER1 4/20 0.33
HDAC3 O15379 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC7 Q8WUI4 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC10 Q969S8 1/20 0.33
HDAC11 Q96DB2 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33

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
Trifluoroacetic Acid SCHEMBL2851704 0.81 CCNC (0.43) ADORA2AADORA1P2RX7CCNCCDK8
SCHEMBL2842396 0.79 CYP11B2 (0.42) ADORA2AADORA1P2RX7CDYLKDM4E
SCHEMBL10731156 0.77 CYP4F2 (0.58) CDYLKDM4ECYP4F2CYP4A11
SCHEMBL30873960 0.76 CCNC (0.48) ADORA2AADORA1P2RX7CCNCCDK8
SCHEMBL2849208 0.76 CCNC (0.48) ADORA2AADORA1P2RX7CCNCCDK8
SCHEMBL2846594 0.75 CYP1A2 (0.42) ADORA2AADORA1TRPV1
SCHEMBL5511663 0.75 P2RX7 (0.47) ADORA2AADORA1P2RX7CCNCCDK8
SCHEMBL22345559 0.72 CYP4F2 (0.34) CDYLKDM4ECYP4F2CYP4A11RXFP1
SCHEMBL27369755 0.71 TDP1 (0.58) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL2850402 0.71 TRPM5 (0.44) KDM4ETRPV1HDAC3HDAC4HDAC1

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 ADORA2A 393/4885ADORA1 155/4885P2RX7 222/4885

“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.