Sugi Predict

Sugi Predict / Compounds / SCHEMBL1590433

SCHEMBL1590433

SCHEMBL1590433

Cc1ccccc1CCC(=O)Nc1cccc2c(=O)n(CC(C)(C)O)ccc12

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ POLB P06746 4/20 0.41
▸ P2RX7 Q99572 2/20 0.41
▸ NOTUM Q6P988 1/20 0.40
▸ GRM2 Q14416 4/20 0.40
▸ LMNA P02545 2/20 0.40
▸ TSHR P16473 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ RORC P51449 1/20 0.39
▸ CYP1A2 P05177 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38

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
SCHEMBL13046654 0.93 ALDH1A1 (0.44) ALDH1A1KDM4EHPGDPOLBP2RX7
SCHEMBL1590626 0.91 P2RX7 (0.44) ALDH1A1KDM4EHPGDPOLBP2RX7
SCHEMBL1590951 0.89 GRM2 (0.50) ALDH1A1KDM4EHPGDPOLBP2RX7
SCHEMBL1590393 0.84 ALDH1A1 (0.41) ALDH1A1KDM4EHPGDPOLBP2RX7
SCHEMBL13047073 0.83 ALDH1A1 (0.46) ALDH1A1KDM4EHPGDPOLBP2RX7
SCHEMBL13046688 0.83 TP53 (0.56) ALDH1A1KDM4EHPGDPOLBP2RX7
SCHEMBL13047377 0.83 GRM2 (0.43) ALDH1A1KDM4EHPGDPOLBP2RX7
SCHEMBL13046667 0.83 LMNA (0.46) ALDH1A1POLBNOTUMLMNATSHR
SCHEMBL1591439 0.82 KMT2A (0.52) ALDH1A1KDM4EHPGDPOLBLMNA
SCHEMBL17577827 0.82 P2RX7 (0.44) ALDH1A1KDM4EHPGDPOLBP2RX7

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 7 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

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 ALDH1A1 3640/4885KDM4E 4128/4885HPGD 368/4885
US-20110092476-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof P2RX7, P2RX3, P2RX2 ALDH1A1 3640/4885KDM4E 4128/4885HPGD 368/4885

“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.