SCHEMBL1591806

SCHEMBL1591806

CC(C)(CO)n1ccc2c(NC(=O)Cc3ccc(C(F)(F)F)cc3C(F)(F)F)cccc2c1=O

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 5/20 0.48
POLB P06746 2/20 0.42
POLQ O75417 2/20 0.39
KCNH2 Q12809 1/20 0.39
ANO1 Q5XXA6 1/20 0.38
AKR1B1 P15121 3/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.38
TRPV1 Q8NER1 1/20 0.38
KCNQ2 O43526 1/20 0.38
NTRK1 P04629 2/20 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
SCHEMBL1590637 0.91 P2RX7 (0.44) P2RX7POLBANO1AKR1B1TRPV1
SCHEMBL1591666 0.87 P2RX7 (0.51) P2RX7POLBTRPV1KCNQ2NTRK1
SCHEMBL1590578 0.85 P2RX7 (0.49) P2RX7AKR1B1NTRK1
SCHEMBL1590205 0.83 P2RX7 (0.68) P2RX7POLBPOLQKCNH2AKR1B1
SCHEMBL1590501 0.83 P2RX7 (0.70) P2RX7POLBPOLQTRPV1NTRK1
SCHEMBL1591890 0.83 P2RX7 (0.61) P2RX7TRPV1KCNQ2NTRK1
SCHEMBL1590252 0.83 P2RX7 (0.56) P2RX7KCNQ2NTRK1
SCHEMBL1591202 0.82 P2RX7 (0.57) P2RX7POLBPOLQKCNH2AKR1B1
SCHEMBL1590200 0.82 P2RX7 (0.72) P2RX7POLBTRPV1KCNQ2
SCHEMBL13587570 0.81 P2RX7 (0.58) P2RX7POLBPOLQKCNH2AKR1B1

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 3676/4885POLQ 4130/4885
US-20110092476-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof P2RX7, P2RX3, P2RX2 P2RX7 1/4885POLB 3676/4885POLQ 4130/4885

“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.