SCHEMBL1590584

SCHEMBL1590584

O=C(Cc1ccc(C(F)(F)F)cc1)Nc1cccc2c(=O)n(CCO)ccc12

nearest known ligand 0.73

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 6/20 0.73
POLB P06746 3/20 0.45
LMNA P02545 1/20 0.45
NLRP3 Q96P20 1/20 0.45
MAPT P10636 1/20 0.42
TRPV1 Q8NER1 4/20 0.42
NTRK1 P04629 1/20 0.42
MAPK8 P45983 1/20 0.41
MAPK10 P53779 1/20 0.41
GRM2 Q14416 2/20 0.41
TP53 P04637 1/20 0.41

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
SCHEMBL1590240 0.91 P2RX7 (0.72) P2RX7POLBMAPTGRM2TP53
SCHEMBL1590603 0.88 P2RX7 (0.68) P2RX7POLBGRM2TP53
SCHEMBL1591494 0.87 P2RX7 (0.66) P2RX7POLBLMNAGRM2TP53
SCHEMBL13046586 0.86 P2RX7 (0.56) P2RX7POLBLMNANLRP3MAPT
SCHEMBL1591765 0.86 P2RX7 (0.68) P2RX7POLBMAPTGRM2TP53
SCHEMBL1590205 0.86 P2RX7 (0.68) P2RX7POLBMAPTGRM2TP53
SCHEMBL1590383 0.86 P2RX7 (0.71) P2RX7POLBLMNAMAPTGRM2
SCHEMBL1590486 0.85 P2RX7 (0.78) P2RX7POLBNTRK1GRM2TP53
SCHEMBL1590342 0.85 P2RX7 (0.73) P2RX7POLBMAPTGRM2
SCHEMBL1590156 0.84 P2RX7 (1.00) P2RX7POLBMAPTTRPV1

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 9 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
US-20110092476-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof RENOVIS, INC. 2011-04-21 US disclosed
US-20110092476-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof RENOVIS, INC. 2011-04-21 US disclosed
US-7816371-B2 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof RENOVIS, INC. (US) 2010-10-19 US disclosed
US-7816371-B2 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof RENOVIS, INC. (US) 2010-10-19 US disclosed
US-20070225324-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof SECOND GENOME, INC. 2007-09-27 US disclosed
US-20070225324-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof SECOND GENOME, INC. 2007-09-27 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-20070225324-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof P2RX7, P2RX3, P2RX2 P2RX7 1/4885POLB 3676/4885LMNA 1911/4885
US-20110092476-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof P2RX7, P2RX3, P2RX2 P2RX7 1/4885POLB 3676/4885LMNA 1911/4885

“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.