SCHEMBL1590629

SCHEMBL1590629

CC(O)Cn1ccc2c(NC(=O)C(C)c3ccccc3)cccc2c1=O

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SHMT2 P34897 9/20 0.49
ELOVL1 Q9BW60 2/20 0.45
KCNQ2 O43526 1/20 0.45
LMNA P02545 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
GRM2 Q14416 2/20 0.43
PABPC1 P11940 1/20 0.43
TP53 P04637 2/20 0.42
MAPT P10636 1/20 0.42
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
HTT P42858 1/20 0.41

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
SCHEMBL8232382 0.87 GRM2 (0.48) SHMT2ELOVL1KCNQ2LMNAL3MBTL1
SCHEMBL13047050 0.86 SHMT2 (0.46) SHMT2ELOVL1KCNQ2LMNAL3MBTL1
SCHEMBL13047523 0.84 TP53 (0.54) SHMT2ELOVL1KCNQ2LMNAL3MBTL1
SCHEMBL13046851 0.84 GRM2 (0.46) SHMT2ELOVL1KCNQ2LMNAL3MBTL1
SCHEMBL13047147 0.82 LMNA (0.51) SHMT2ELOVL1KCNQ2LMNAL3MBTL1
SCHEMBL1590832 0.81 USP7 (0.45) SHMT2KCNQ2
SCHEMBL13046944 0.81 SHMT2 (0.49) SHMT2KCNQ2GRM2HTT
SCHEMBL1590784 0.81 NPC1 (0.45) SHMT2LMNAGRM2MAPTCYP1A2
SCHEMBL1591076 0.80 P2RX7 (0.57) SHMT2ELOVL1KCNQ2LMNAL3MBTL1
SCHEMBL13047670 0.80 KCNQ2 (0.43) SHMT2ELOVL1KCNQ2GRM2MAPT

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 10 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
EP-1933622-B1 BICYCLOHETEROARYL COMPOUNDS AS P2X7 MODULATORS AND USES THEREOF SECOND GENOME INC (US) 2016-03-09 EP disclosed
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 SHMT2 1839/4885ELOVL1 3777/4885KCNQ2 519/4885
US-20110092476-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof P2RX7, P2RX3, P2RX2 SHMT2 1839/4885ELOVL1 3777/4885KCNQ2 519/4885

“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.