SCHEMBL1591064

SCHEMBL1591064

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.52
CYP3A4 P08684 2/20 0.52
CYP2C9 P11712 2/20 0.52
CYP2C19 P33261 2/20 0.52
RAB9A P51151 2/20 0.52
NPC1 O15118 1/20 0.52
CYP2D6 P10635 1/20 0.52
P2RX7 Q99572 1/20 0.52
PARP1 P09874 3/20 0.51
GRM2 Q14416 5/20 0.50
ALDH1A1 P00352 2/20 0.48
MAPT P10636 2/20 0.48
NPSR1 Q6W5P4 2/20 0.48
HPGD P15428 1/20 0.48
TP53 P04637 1/20 0.44
CCR8 P51685 1/20 0.44
POLB P06746 1/20 0.43
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
GPR35 Q9HC97 1/20 0.42

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
SCHEMBL3753595 0.86 GRM2 (0.49) CYP1A2CYP3A4CYP2C9CYP2C19RAB9A
SCHEMBL1591494 0.83 P2RX7 (0.66) RAB9AP2RX7GRM2ALDH1A1HPGD
SCHEMBL1590828 0.81 P2RX7 (0.58) RAB9ANPC1P2RX7PARP1GRM2
SCHEMBL8232382 0.80 GRM2 (0.48) CYP1A2CYP3A4CYP2C9CYP2C19CYP2D6
SCHEMBL12702794 0.80 P2RX7 (0.59) RAB9AP2RX7PARP1GRM2ALDH1A1
SCHEMBL1591349 0.78 KCNQ2 (0.56) CYP1A2CYP3A4CYP2C9CYP2D6P2RX7
SCHEMBL1591429 0.78 P2RX7 (0.59) P2RX7PARP1GRM2MAPTTP53
SCHEMBL3148472 0.78 NPC1 (0.82) CYP1A2CYP3A4CYP2C9CYP2C19RAB9A
SCHEMBL13135683 0.77 P2RX7 (0.54) P2RX7PARP1GRM2MAPTTP53
SCHEMBL13047509 0.76 RXFP1 (0.55) RAB9ANPC1GRM2ALDH1A1MAPT

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 11 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
WO-2007109192-A2 BICYCLOHETEROARYL COMPOUNDS AS P2X7 MODULATORS AND USES THEREOF RENOVIS, INC. (US) 2007-09-27 WO 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 CYP1A2 1172/4885CYP3A4 1221/4885CYP2C9 1453/4885
US-20110092476-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof P2RX7, P2RX3, P2RX2 CYP1A2 1172/4885CYP3A4 1221/4885CYP2C9 1453/4885

“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.