SCHEMBL3753595

SCHEMBL3753595

CN(C)CCn1ccc2c(NC(=O)c3ccccc3)cccc2c1=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 5/20 0.49
CYP1A2 P05177 2/20 0.48
CYP3A4 P08684 2/20 0.48
CYP2C9 P11712 2/20 0.48
CYP2C19 P33261 2/20 0.48
RAB9A P51151 2/20 0.48
NPC1 O15118 1/20 0.48
CYP2D6 P10635 1/20 0.48
PARP1 P09874 3/20 0.47
HDAC1 Q13547 1/20 0.47
ALDH1A1 P00352 2/20 0.45
MAPT P10636 2/20 0.45
NPSR1 Q6W5P4 2/20 0.45
HPGD P15428 2/20 0.45
TP53 P04637 1/20 0.43
POLB P06746 1/20 0.43
HTR6 P50406 1/20 0.43
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HTR2C P28335 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
SCHEMBL13046845 0.89 KMT2A (0.50) GRM2RAB9ANPC1HDAC1ALDH1A1
SCHEMBL13046850 0.89 RAB9A (0.49) GRM2RAB9ANPC1PARP1HDAC1
SCHEMBL13046859 0.87 HTR6 (0.48) GRM2CYP1A2CYP3A4CYP2C19RAB9A
SCHEMBL13046567 0.87 HDAC1 (0.43) GRM2PARP1HDAC1ALDH1A1MAPT
SCHEMBL13046843 0.87 P2RX7 (0.44) GRM2PARP1HDAC1NPSR1TP53
SCHEMBL13046848 0.87 RAB9A (0.47) GRM2CYP1A2CYP2C9CYP2C19RAB9A
SCHEMBL13046913 0.87 HDAC1 (0.47) GRM2PARP1HDAC1MAPTHPGD
SCHEMBL1591064 0.86 CYP1A2 (0.52) GRM2CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL13046854 0.86 HTR6 (0.48) GRM2CYP1A2RAB9ANPC1ALDH1A1
SCHEMBL13046565 0.86 PARP1 (0.52) GRM2PARP1ALDH1A1TP53POLB

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
EP-2001474-B1 BICYCLOHETEROARYL COMPOUNDS AS P2X7 MODULATORS AND USES THEREOF SECOND GENOME INC (US) 2016-03-09 EP disclosed
EP-2001474-B1 BICYCLOHETEROARYL COMPOUNDS AS P2X7 MODULATORS AND USES THEREOF SECOND GENOME INC (US) 2016-03-09 EP disclosed
US-8546579-B2 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof EVOTEC (US) INC. (US) 2013-10-01 US disclosed
US-8546579-B2 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof EVOTEC (US) INC. (US) 2013-10-01 US disclosed
US-8546579-B2 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof EVOTEC (US) INC. (US) 2013-10-01 US disclosed
US-20100292235-A1 Bicycloheteroaryl Compounds as P2x7 Modulators and Uses Thereof SECOND GENOME, INC. 2010-11-18 US disclosed
US-20100292235-A1 Bicycloheteroaryl Compounds as P2x7 Modulators and Uses Thereof SECOND GENOME, INC. 2010-11-18 US disclosed
US-20100292235-A1 Bicycloheteroaryl Compounds as P2x7 Modulators and Uses Thereof SECOND GENOME, INC. 2010-11-18 US disclosed
EP-2001474-A2 BICYCLOHETEROARYL COMPOUNDS AS P2X7 MODULATORS AND USES THEREOF Renovis, Inc. (US) 2008-12-17 EP disclosed
WO-2007109172-A2 BICYCLOHETEROARYL COMPOUNDS AS P2X7 MODULATORS AND USES THEREOF RENOVIS, INC. (US) 2007-09-27 WO disclosed
WO-2007109172-A2 BICYCLOHETEROARYL COMPOUNDS AS P2X7 MODULATORS AND USES THEREOF RENOVIS, INC. (US) 2007-09-27 WO 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 (1 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-20100292235-A1 Bicycloheteroaryl Compounds as P2x7 Modulators and Uses Thereof P2RX7, P2RX3, P2RX2 GRM2 332/4885CYP1A2 1172/4885CYP3A4 1221/4885

“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.