SCHEMBL1590634

SCHEMBL1590634

Cc1ccc(C(=O)Nc2cccc3c(=O)n(CC(C)(C)O)ccc23)cc1Cl

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
MAPT P10636 4/20 0.46
TP53 P04637 2/20 0.46
LMNA P02545 3/20 0.45
CNR2 P34972 3/20 0.43
P2RX7 Q99572 1/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
THRB P10828 1/20 0.41
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
CNR1 P21554 1/20 0.40
POLB P06746 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
GRM2 Q14416 1/20 0.39
HSD17B13 Q7Z5P4 1/20 0.39
KDM4E B2RXH2 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
SCHEMBL13047109 0.93 NPC1 (0.47) NPC1RAB9AMAPTTP53LMNA
SCHEMBL1591338 0.92 TAS1R3 (0.45) NPC1RAB9AMAPTTP53LMNA
SCHEMBL1591033 0.88 KMT2A (0.50) NPC1RAB9AMAPTLMNAMEN1
SCHEMBL1590517 0.86 P2RX7 (0.42) MAPTP2RX7MEN1KMT2ATDP1
SCHEMBL13046666 0.85 TAS1R3 (0.46) MAPTTP53LMNACNR2P2RX7
SCHEMBL1590795 0.85 MEN1 (0.44) MAPTLMNACNR2MEN1KMT2A
SCHEMBL1590665 0.84 NPC1 (0.47) NPC1RAB9AMAPTTP53LMNA
SCHEMBL13047234 0.84 RXFP1 (0.52) NPC1RAB9AMAPTTP53LMNA
SCHEMBL1590825 0.84 SMN1; SMN2 (0.44) NPC1RAB9AMAPTTP53LMNA
SCHEMBL1590543 0.84 NPC1 (0.48) NPC1RAB9AMAPTLMNACNR2

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 9 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
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 NPC1 2233/4885RAB9A 3422/4885MAPT 4477/4885
US-20110092476-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof P2RX7, P2RX3, P2RX2 NPC1 2233/4885RAB9A 3422/4885MAPT 4477/4885

“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.