SCHEMBL1590528

SCHEMBL1590528

CC(C(N)=O)n1ccc2c(NC(=O)Cc3cccc(C(F)(F)F)c3F)cccc2c1=O

nearest known ligand 0.54

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 15/20 0.54
NTRK1 P04629 1/20 0.41
CD38 P28907 1/20 0.41
AKR1B1 P15121 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL1591071 1.00 P2RX7 (0.54) P2RX7NTRK1CD38AKR1B1MEN1
SCHEMBL1590526 1.00 P2RX7 (0.54) P2RX7NTRK1CD38AKR1B1MEN1
SCHEMBL1590933 0.88 P2RX7 (0.53) P2RX7CD38AKR1B1
SCHEMBL1590936 0.88 P2RX7 (0.53) P2RX7CD38AKR1B1
SCHEMBL1590497 0.88 P2RX7 (0.69) P2RX7NTRK1AKR1B1MEN1KMT2A
SCHEMBL1590781 0.88 P2RX7 (0.69) P2RX7NTRK1AKR1B1MEN1KMT2A
SCHEMBL1591265 0.87 P2RX7 (0.55) P2RX7
SCHEMBL1591268 0.87 P2RX7 (0.55) P2RX7
SCHEMBL306533 0.86 P2RX7 (0.66) P2RX7NTRK1CD38
SCHEMBL306532 0.86 P2RX7 (0.66) P2RX7NTRK1CD38

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110092476-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof RENOVIS, INC. 2011-04-21 US claimed
US-7816371-B2 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof RENOVIS, INC. (US) 2010-10-19 US claimed
US-20070225324-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof SECOND GENOME, INC. 2007-09-27 US claimed

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-20070225324-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof P2RX7, P2RX3, P2RX2 P2RX7 1/4885NTRK1 2309/4885CD38 536/4885
US-20110092476-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof P2RX7, P2RX3, P2RX2 P2RX7 1/4885NTRK1 2309/4885CD38 536/4885

“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.