Sugi Predict

Sugi Predict / Compounds / SCHEMBL1590551

SCHEMBL1590551

SCHEMBL1590551

CC(C)(O)Cn1ccc2c(NC(=O)c3cccc4c3OCCO4)cccc2c1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 1/20 0.42
▸ CNR2 P34972 1/20 0.42
▸ MRGPRX1 Q96LB2 1/20 0.41
▸ ALDH1A1 P00352 4/20 0.40
▸ KDM4E B2RXH2 3/20 0.40
▸ POLB P06746 1/20 0.40
▸ NR5A1 Q13285 3/20 0.39
▸ TAS2R8 Q9NYW2 1/20 0.39
▸ PTGER3 P43115 1/20 0.38
▸ RORA P35398 1/20 0.38
▸ HTR4 Q13639 1/20 0.38
▸ KLKB1 P03952 1/20 0.37
▸ MTNR1A P48039 1/20 0.36
▸ MAPT P10636 4/20 0.36
▸ TP53 P04637 2/20 0.36
▸ EGFR P00533 2/20 0.36
▸ TSHR P16473 2/20 0.36
▸ ESR1 P03372 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ MEN1 O00255 1/20 0.36

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
SCHEMBL13047115 0.93 CNR1 (0.42) CNR1CNR2MRGPRX1ALDH1A1KDM4E
SCHEMBL1590806 0.85 CNR1 (0.42) CNR1CNR2MRGPRX1ALDH1A1KDM4E
SCHEMBL13046882 0.84 CNR1 (0.41) CNR1CNR2MRGPRX1ALDH1A1KDM4E
SCHEMBL13047183 0.83 MRGPRX1 (0.45) CNR1CNR2MRGPRX1ALDH1A1TAS2R8
SCHEMBL13046982 0.82 CNR2 (0.45) CNR1CNR2MRGPRX1ALDH1A1KDM4E
SCHEMBL13046802 0.81 CNR1 (0.55) CNR1CNR2MRGPRX1TAS2R8HTR4
SCHEMBL1590821 0.81 MAPT (0.46) CNR1CNR2ALDH1A1KDM4EPOLB
SCHEMBL1590750 0.81 PARP1 (0.53) CNR2ALDH1A1POLBTP53
SCHEMBL1590408 0.81 CNR1 (0.40) CNR1CNR2MRGPRX1ALDH1A1KDM4E
SCHEMBL1591704 0.80 HPGD (0.53) CNR2ALDH1A1KDM4EMAPTTSHR

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 8 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-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 CNR1 49/4885CNR2 42/4885MRGPRX1 43/4885
US-20110092476-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof P2RX7, P2RX3, P2RX2 CNR1 49/4885CNR2 42/4885MRGPRX1 43/4885

“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.