SCHEMBL1590769

SCHEMBL1590769

COc1ccc(C(=O)Nc2cccc3c(=O)n(C(O)C4CCCCC4)ccc23)cc1C

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ACKR3 P25106 1/20 0.46
CNR2 P34972 1/20 0.43
PDE4D Q08499 6/20 0.43
PDE4A P27815 3/20 0.42
PDE4B Q07343 3/20 0.42
PDE4C Q08493 3/20 0.42
PDE5A O76074 4/20 0.41
PDE1A P54750 2/20 0.41
PDE1B Q01064 2/20 0.41
PDE1C Q14123 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
HTT P42858 1/20 0.41
HSD17B10 Q99714 1/20 0.41
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
ROCK2 O75116 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C19 P33261 1/20 0.40

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
SCHEMBL1591479 0.91 PDE4D (0.47) PDE4DPDE4APDE4BPDE4CMEN1
SCHEMBL1590875 0.90 KMT2A (0.41) CNR2MEN1KMT2AHTTHSD17B10
SCHEMBL1591093 0.88 LMNA (0.45) ACKR3CNR2PDE4DMEN1KMT2A
SCHEMBL1590454 0.88 TP53 (0.44) CNR2MEN1KMT2AHSD17B10LMNA
SCHEMBL1590972 0.86 CNR2 (0.46) CNR2HSD17B10
SCHEMBL1591656 0.86 MEN1 (0.45) ACKR3MEN1KMT2AHSD17B10ALDH1A1
SCHEMBL1591609 0.86 NPC1 (0.47) ACKR3MEN1KMT2AALDH1A1LMNA
SCHEMBL1590249 0.84 ALDH1A1 (0.40) ACKR3MEN1KMT2AHTTHSD17B10
SCHEMBL1590776 0.83 RAB9A (0.47) ACKR3MEN1KMT2AHTTALDH1A1
SCHEMBL1590914 0.82 KMT2A (0.43) ACKR3KMT2AALDH1A1

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 3 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

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 ACKR3 136/4885CNR2 42/4885PDE4D 661/4885
US-20110092476-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof P2RX7, P2RX3, P2RX2 ACKR3 136/4885CNR2 42/4885PDE4D 661/4885

“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.