SCHEMBL1591832

SCHEMBL1591832

C[C@H](C(N)=O)n1ccc2c(NC(=O)Cc3ccc(F)cc3Cl)cccc2c1=O

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 10/20 0.52
SHMT2 P34897 1/20 0.44
PTGER3 P43115 2/20 0.43
NR3C2 P08235 1/20 0.40
ACKR3 P25106 2/20 0.40
ALDH1A1 P00352 1/20 0.39
POLB P06746 1/20 0.39
TSHR P16473 1/20 0.39
NR2F2 P24468 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 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
SCHEMBL1591836 1.00 P2RX7 (0.52) P2RX7SHMT2PTGER3NR3C2ACKR3
SCHEMBL1590932 0.91 P2RX7 (0.47) P2RX7SHMT2ALDH1A1POLBTSHR
SCHEMBL1591121 0.91 P2RX7 (0.51) P2RX7ALDH1A1NR2F2
SCHEMBL1590928 0.91 P2RX7 (0.47) P2RX7SHMT2ALDH1A1POLBTSHR
SCHEMBL1591125 0.91 P2RX7 (0.51) P2RX7ALDH1A1NR2F2
SCHEMBL1590462 0.88 P2RX7 (0.51) P2RX7PTGER3
SCHEMBL1590459 0.88 P2RX7 (0.51) P2RX7PTGER3
SCHEMBL1591265 0.87 P2RX7 (0.55) P2RX7POLBTSHRNR2F2HTT
SCHEMBL1591268 0.87 P2RX7 (0.55) P2RX7POLBTSHRNR2F2HTT
SCHEMBL1591423 0.87 P2RX7 (0.50) P2RX7ALDH1A1POLB

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 1/4885SHMT2 1839/4885PTGER3 172/4885
US-20110092476-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof P2RX7, P2RX3, P2RX2 P2RX7 1/4885SHMT2 1839/4885PTGER3 172/4885

“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.