SCHEMBL2805095

SCHEMBL2805095

NC(=O)C1OCC[C]1C(=O)NCc1ccc(Nc2ccc(F)cc2C(F)(F)F)cn1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 7/20 0.36
FLT3 P36888 2/20 0.34
MAPK3 P27361 1/20 0.34
MAPK1 P28482 1/20 0.34
KLKB1 P03952 1/20 0.34
BACE1 P56817 1/20 0.34
HDAC3 O15379 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
AURKA O14965 2/20 0.34
NAMPT P43490 1/20 0.34
P2RX7 Q99572 1/20 0.33
KIT P10721 1/20 0.33
GCGR P47871 1/20 0.33
AR P10275 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
SCHEMBL2782126 0.87 CNR2 (0.36) CNR2MAPK3MAPK1HDAC3HDAC1
SCHEMBL12473674 0.81 CNR2 (0.38) CNR2
SCHEMBL2805098 0.80 CNR2 (0.36) CNR2FLT3P2RX7KIT
SCHEMBL185476 0.78 KIT (0.40) CNR2FLT3HDAC3HDAC1HDAC2
SCHEMBL2807472 0.77 P2RX7 (0.39) CNR2HDAC3HDAC1HDAC2HDAC6
SCHEMBL2809260 0.77 PTGES (0.40)
SCHEMBL2782482 0.77 P2RX7 (0.38) CNR2FLT3HDAC3HDAC1HDAC2
SCHEMBL2779378 0.77 LMNA (0.40) CNR2
Hydrochloric Acid SCHEMBL2805225 0.76 P2RX7 (0.39) CNR2HDAC3HDAC1HDAC2HDAC6
SCHEMBL13159817 0.76 MAPK10 (0.46) CNR2FLT3MAPK3MAPK1P2RX7

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130131075-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-05-23 US disclosed
US-20100240669-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-09-23 US 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 (2 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-20130131075-A1 NEW COMPOUNDS ADORA1, H1-10, P2RY11 CNR2 882/4885FLT3 632/4885MAPK3 4162/4885
US-20100240669-A1 NEW COMPOUNDS ADORA1, H1-10, P2RY11 CNR2 882/4885FLT3 632/4885MAPK3 4162/4885

“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.