SCHEMBL1590866

SCHEMBL1590866

CC(O)Cn1ccc2c(NC(=O)c3ccc(-c4ccccc4)o3)cccc2c1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR4 O95977 1/20 0.46
NPSR1 Q6W5P4 1/20 0.44
HPGD P15428 7/20 0.43
MAPT P10636 4/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
ALDH1A1 P00352 5/20 0.41
KDM4E B2RXH2 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
TP53 P04637 3/20 0.41
GRM2 Q14416 2/20 0.41
LMNA P02545 2/20 0.40
SHMT2 P34897 1/20 0.39
PTPN1 P18031 1/20 0.39
PTPN11 Q06124 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
SCHEMBL13046689 0.85 TP53 (0.52) S1PR4NPSR1HPGDMAPTCYP1A2
SCHEMBL1590384 0.85 S1PR4 (0.46) S1PR4NPSR1HPGDMAPTCYP1A2
SCHEMBL13046621 0.84 S1PR4 (0.45) S1PR4NPSR1HPGDMAPTCYP1A2
SCHEMBL1590784 0.83 NPC1 (0.45) HPGDMAPTCYP1A2CYP3A4CYP2D6
SCHEMBL1590210 0.81 RAB9A (0.51) NPSR1HPGDMAPTALDH1A1KDM4E
SCHEMBL13046636 0.80 HPGD (0.47) S1PR4NPSR1HPGDMAPTCYP1A2
SCHEMBL13047631 0.80 NPSR1 (0.44) S1PR4NPSR1HPGDMAPTCYP1A2
SCHEMBL1590724 0.80 NPSR1 (0.48) S1PR4NPSR1HPGDMAPTCYP1A2
SCHEMBL13046712 0.80 DHPS (0.57) HPGDMAPTCYP1A2CYP3A4CYP2D6
SCHEMBL13046603 0.80 NPSR1 (0.43) S1PR4NPSR1HPGDMAPTCYP1A2

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 S1PR4 1080/4885NPSR1 326/4885HPGD 368/4885
US-20110092476-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof P2RX7, P2RX3, P2RX2 S1PR4 1080/4885NPSR1 326/4885HPGD 368/4885

“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.