SCHEMBL1590440

SCHEMBL1590440

CC(CO)n1ccc2c(NC(=O)c3ccc4c(c3)OCCCO4)cccc2c1=O

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 5/20 0.51
RAB9A P51151 8/20 0.49
NPC1 O15118 6/20 0.49
TDP1 Q9NUW8 1/20 0.49
KMT2A Q03164 7/20 0.48
MEN1 O00255 4/20 0.48
ALDH1A1 P00352 4/20 0.48
MAPT P10636 3/20 0.48
TSHR P16473 2/20 0.48
BRCA1 P38398 1/20 0.48
SMN1; SMN2 Q16637 3/20 0.47
POLB P06746 2/20 0.47
KDM4E B2RXH2 3/20 0.44
NPSR1 Q6W5P4 1/20 0.44
TP53 P04637 2/20 0.44
PTGS2 P35354 1/20 0.43
HTT P42858 1/20 0.43
GAA P10253 1/20 0.43
HPGD P15428 1/20 0.43

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
SCHEMBL13047185 0.84 RAB9A (0.55) RAB9ANPC1TDP1KMT2AMEN1
SCHEMBL1590435 0.84 RAB9A (0.49) RAB9ANPC1TDP1KMT2AMEN1
SCHEMBL13047116 0.81 RAB9A (0.50) RAB9ANPC1TDP1KMT2AMEN1
SCHEMBL13047239 0.80 RAB9A (0.54) RAB9ANPC1TDP1KMT2AMEN1
SCHEMBL1591391 0.80 RAB9A (0.49) RAB9ANPC1TDP1KMT2AMEN1
SCHEMBL1591574 0.80 P2RX7 (0.53) P2RX7RAB9AKMT2AMEN1ALDH1A1
SCHEMBL19276926 0.80 RAB9A (0.58) RAB9ANPC1TDP1KMT2AMEN1
SCHEMBL1591538 0.79 P2RX7 (0.56) P2RX7RAB9ANPC1TDP1KMT2A
SCHEMBL13046883 0.79 RAB9A (0.48) RAB9ANPC1TDP1KMT2AMEN1
SCHEMBL1591069 0.79 P2RX7 (0.56) P2RX7RAB9ANPC1KMT2AMEN1

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 8 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-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 1/4885RAB9A 3422/4885NPC1 2233/4885
US-20110092476-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof P2RX7, P2RX3, P2RX2 P2RX7 1/4885RAB9A 3422/4885NPC1 2233/4885

“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.