SCHEMBL13047342

SCHEMBL13047342

CC(=O)OCCn1ccc2c(NC(=O)Cc3cc(C(F)(F)F)ccc3C(F)(F)F)cccc2c1=O

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 6/20 0.53
POLB P06746 4/20 0.51
MAPT P10636 3/20 0.48
TP53 P04637 2/20 0.43
RAB9A P51151 1/20 0.41
GRM2 Q14416 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
THRB P10828 1/20 0.39
LMNA P02545 1/20 0.38

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
SCHEMBL13048202 0.93 P2RX7 (0.53) P2RX7POLBMAPTTP53RAB9A
SCHEMBL13047324 0.93 P2RX7 (0.49) P2RX7POLBMAPTTP53RAB9A
SCHEMBL13046586 0.88 P2RX7 (0.56) P2RX7POLBMAPTTP53RAB9A
SCHEMBL1591765 0.87 P2RX7 (0.68) P2RX7POLBMAPTTP53GRM2
SCHEMBL13047332 0.87 P2RX7 (0.56) P2RX7POLBMAPTTP53RAB9A
SCHEMBL13046579 0.85 MAPT (0.49) P2RX7POLBMAPTTP53RAB9A
SCHEMBL1590519 0.83 P2RX7 (0.78) P2RX7POLBMAPTTP53RAB9A
SCHEMBL13047326 0.82 P2RX7 (0.50) P2RX7POLBMAPTTP53RAB9A
SCHEMBL1590205 0.80 P2RX7 (0.68) P2RX7POLBMAPTTP53GRM2
SCHEMBL1590254 0.80 P2RX7 (0.63) P2RX7POLBMAPTTP53GRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8546579-B2 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof EVOTEC (US) INC. (US) 2013-10-01 US disclosed
US-8546579-B2 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof EVOTEC (US) INC. (US) 2013-10-01 US disclosed
US-20100292235-A1 Bicycloheteroaryl Compounds as P2x7 Modulators and Uses Thereof SECOND GENOME, INC. 2010-11-18 US disclosed
US-20100292235-A1 Bicycloheteroaryl Compounds as P2x7 Modulators and Uses Thereof SECOND GENOME, INC. 2010-11-18 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 (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-20100292235-A1 Bicycloheteroaryl Compounds as P2x7 Modulators and Uses Thereof P2RX7, P2RX3, P2RX2 P2RX7 1/4885POLB 3676/4885MAPT 4477/4885

“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.