SCHEMBL1591349

SCHEMBL1591349

CCC(C(=O)Nc1cccc2c(=O)n(CCO)ccc12)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNQ2 O43526 7/20 0.56
MAPT P10636 1/20 0.53
GRM2 Q14416 4/20 0.49
ELOVL1 Q9BW60 1/20 0.48
KCNQ3 O43525 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
KCNE1 P15382 1/20 0.48
KCNQ1 P51787 1/20 0.48
KCNQ4 P56696 1/20 0.48
P2RX7 Q99572 1/20 0.46
ALDH1A1 P00352 2/20 0.44
POLB P06746 1/20 0.43
CRHBP P24387 1/20 0.43
CRHR2 Q13324 1/20 0.43
SHMT2 P34897 1/20 0.43
LMNA P02545 1/20 0.43
HTT P42858 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
SCHEMBL13046595 0.89 KCNQ2 (0.53) KCNQ2MAPTGRM2ELOVL1KCNQ3
SCHEMBL8232382 0.87 GRM2 (0.48) KCNQ2GRM2ELOVL1CYP1A2CYP3A4
SCHEMBL1591064 0.78 CYP1A2 (0.52) MAPTGRM2CYP1A2CYP3A4CYP2D6
SCHEMBL1591253 0.78 P2RX7 (0.50) MAPTGRM2P2RX7ALDH1A1POLB
SCHEMBL1591494 0.77 P2RX7 (0.66) GRM2P2RX7ALDH1A1POLBLMNA
SCHEMBL13166879 0.76 KCNQ2 (0.66) KCNQ2MAPTKCNQ3CYP1A2CYP3A4
SCHEMBL1590730 0.76 P2RX7 (0.49) MAPTGRM2P2RX7ALDH1A1LMNA
SCHEMBL13047523 0.76 TP53 (0.54) KCNQ2MAPTGRM2ELOVL1ALDH1A1
SCHEMBL13046851 0.76 GRM2 (0.46) KCNQ2GRM2ELOVL1POLBSHMT2
SCHEMBL13046588 0.75 GRM2 (0.45) GRM2P2RX7ALDH1A1POLBSHMT2

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 KCNQ2 519/4885MAPT 4477/4885GRM2 332/4885
US-20110092476-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof P2RX7, P2RX3, P2RX2 KCNQ2 519/4885MAPT 4477/4885GRM2 332/4885

“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.