SCHEMBL1590796

SCHEMBL1590796

C[C@H](C(N)=O)n1ccc2c(NC(=O)Cc3ccccc3F)cccc2c1=O

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 8/20 0.47
LMNA P02545 3/20 0.46
RAB9A P51151 2/20 0.46
PARP14 Q460N5 1/20 0.45
KMT2A Q03164 3/20 0.45
ALDH1A1 P00352 2/20 0.44
KDM4E B2RXH2 1/20 0.44
HPGD P15428 1/20 0.44
MEN1 O00255 1/20 0.41
MAPK8 P45983 1/20 0.41
NPC1 O15118 1/20 0.41
MAPK1 P28482 1/20 0.41
CASP3 P42574 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
TP53 P04637 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
SCHEMBL1590799 1.00 P2RX7 (0.47) P2RX7LMNARAB9APARP14KMT2A
SCHEMBL1590963 0.91 P2RX7 (0.48) P2RX7ALDH1A1KDM4EHPGDMAPK8
SCHEMBL1590970 0.91 P2RX7 (0.48) P2RX7ALDH1A1KDM4EHPGDMAPK8
SCHEMBL1590932 0.89 P2RX7 (0.47) P2RX7ALDH1A1KDM4EHPGDMAPK8
SCHEMBL1590928 0.89 P2RX7 (0.47) P2RX7ALDH1A1KDM4EHPGDMAPK8
SCHEMBL1590434 0.89 P2RX7 (0.49) P2RX7ALDH1A1KDM4EHPGDTP53
SCHEMBL1590432 0.89 P2RX7 (0.49) P2RX7ALDH1A1KDM4EHPGDTP53
SCHEMBL1591347 0.88 P2RX7 (0.46) P2RX7ALDH1A1KDM4EHPGDMAPK8
SCHEMBL1591350 0.88 P2RX7 (0.46) P2RX7ALDH1A1KDM4EHPGDMAPK8
SCHEMBL1590462 0.88 P2RX7 (0.51) P2RX7LMNAPARP14MAPK8

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 1/4885LMNA 1911/4885RAB9A 3422/4885
US-20110092476-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof P2RX7, P2RX3, P2RX2 P2RX7 1/4885LMNA 1911/4885RAB9A 3422/4885

“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.