SCHEMBL2846594

SCHEMBL2846594

O=C(CCc1ccnc2ccccc12)OC(=O)C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.42
LOXL2 Q9Y4K0 1/20 0.42
IDO1 P14902 1/20 0.38
ADORA2A P29274 1/20 0.37
ADORA1 P30542 1/20 0.37
KDR P35968 4/20 0.37
FLT1 P17948 3/20 0.37
RAF1 P04049 1/20 0.37
LCK P06239 1/20 0.37
RET P07949 1/20 0.37
CYP3A4 P08684 1/20 0.37
KIT P10721 1/20 0.37
MAP3K20 Q9NYL2 1/20 0.37
RIPK3 Q9Y572 1/20 0.37
TRPV1 Q8NER1 1/20 0.36
MTNR1A P48039 3/20 0.36
MTNR1B P49286 3/20 0.36
FAAH O00519 1/20 0.36
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35

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 SCHEMBL2846592 0.81 CYP1A2 (0.49) CYP1A2LOXL2IDO1ADORA2AADORA1
SCHEMBL4059940 0.79 KDM4E (0.50) CYP1A2LOXL2KDRFLT1MTNR1A
SCHEMBL22345559 0.78 CYP4F2 (0.34)
SCHEMBL7208445 0.77 CYP4F2 (0.60) CYP1A2LOXL2CYP3A4ALDH1A1
SCHEMBL23215045 0.76 ALDH1A1 (0.37) CYP1A2ADORA2ACYP3A4TRPV1ALDH1A1
SCHEMBL2851707 0.75 ADORA2A (0.39) ADORA2AADORA1TRPV1
SCHEMBL1650885 0.75 CYP1A2 (0.55) CYP1A2LOXL2KDRFLT1FAAH
SCHEMBL21820692 0.75 LOXL2 (0.49) CYP1A2LOXL2IDO1KDRFLT1
SCHEMBL5514406 0.74 LOXL2 (0.51) CYP1A2LOXL2IDO1KDRFLT1
SCHEMBL27369755 0.72 TDP1 (0.58) FAAHALDH1A1HTT

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 CYP1A2 905/4885LOXL2 4110/4885IDO1 3869/4885

“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.