SCHEMBL1590701

SCHEMBL1590701

CC(=O)NCCn1ccc2c(NC(=O)Cc3ccc(Cl)c(C(F)(F)F)c3)cccc2c1=O

nearest known ligand 0.79

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 10/20 0.79
TRPV1 Q8NER1 3/20 0.45
POLB P06746 2/20 0.45
SCD O00767 1/20 0.42
ENPP2 Q13822 2/20 0.41
KDM4E B2RXH2 1/20 0.40
MAPT P10636 1/20 0.40
CLK1 P49759 1/20 0.40

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
SCHEMBL1589823 0.91 P2RX7 (0.82) P2RX7TRPV1POLBSCDKDM4E
Hydrochloric Acid SCHEMBL1590577 0.91 P2RX7 (0.81) P2RX7TRPV1POLBSCDKDM4E
SCHEMBL12702803 0.90 P2RX7 (0.85) P2RX7TRPV1POLB
SCHEMBL1590510 0.89 P2RX7 (0.62) P2RX7POLBKDM4E
SCHEMBL1590086 0.89 P2RX7 (0.62) P2RX7TRPV1POLBENPP2KDM4E
SCHEMBL1590156 0.89 P2RX7 (1.00) P2RX7TRPV1POLBSCDKDM4E
SCHEMBL1590519 0.87 P2RX7 (0.78) P2RX7TRPV1POLBKDM4EMAPT
SCHEMBL13047346 0.87 P2RX7 (0.81) P2RX7TRPV1POLBSCDKDM4E
SCHEMBL3747851 0.87 P2RX7 (0.81) P2RX7TRPV1POLBMAPT
SCHEMBL1590713 0.87 P2RX7 (0.59) P2RX7TRPV1POLBSCDKDM4E

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 1/4885TRPV1 19/4885POLB 3676/4885
US-20110092476-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof P2RX7, P2RX3, P2RX2 P2RX7 1/4885TRPV1 19/4885POLB 3676/4885

“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.