SCHEMBL2805098

SCHEMBL2805098

NC(=O)C1OCCC1C(=O)NCc1ccc(Nc2ccc(F)cc2C(F)(F)F)cn1

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 3/20 0.36
P2RX7 Q99572 11/20 0.36
FLT3 P36888 2/20 0.36
TRPA1 O75762 2/20 0.34
KIT P10721 1/20 0.34
EPHX2 P34913 1/20 0.34

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
Hydrochloric Acid SCHEMBL2805207 0.87 CNR2 (0.35) CNR2P2RX7TRPA1EPHX2
SCHEMBL13159817 0.81 MAPK10 (0.46) CNR2P2RX7FLT3EPHX2
SCHEMBL15455028 0.80 CNR2 (0.37) CNR2P2RX7
SCHEMBL2805095 0.80 CNR2 (0.36) CNR2P2RX7FLT3KIT
SCHEMBL185476 0.79 KIT (0.40) CNR2P2RX7FLT3KIT
SCHEMBL2807472 0.76 P2RX7 (0.39) CNR2P2RX7TRPA1
SCHEMBL2809264 0.76 EPHX2 (0.38) P2RX7EPHX2
SCHEMBL2782482 0.76 P2RX7 (0.38) CNR2P2RX7FLT3TRPA1KIT
SCHEMBL2805677 0.76 SCN9A (0.44) P2RX7EPHX2
Hydrochloric Acid SCHEMBL2805225 0.76 P2RX7 (0.39) CNR2P2RX7TRPA1

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 882/4885P2RX7 30/4885FLT3 632/4885
US-20100240669-A1 NEW COMPOUNDS ADORA1, H1-10, P2RY11 CNR2 882/4885P2RX7 30/4885FLT3 632/4885

“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.