SCHEMBL1590846

SCHEMBL1590846

COc1c(C)cc(C(=O)Nc2cccc3c(=O)n(CC(C)O)ccc23)cc1C

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 2/20 0.41
TAS1R1 Q7RTX1 2/20 0.41
TAS1R2 Q8TE23 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HSD17B10 Q99714 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ALDH1A1 P00352 3/20 0.41
HPGD P15428 3/20 0.41
KDM4E B2RXH2 2/20 0.41
TP53 P04637 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
GRM2 Q14416 2/20 0.39
LMNA P02545 2/20 0.39
SHMT2 P34897 1/20 0.38
MAPT P10636 1/20 0.38
TSHR P16473 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
SCHEMBL1590594 0.89 MEN1 (0.46) TAS1R3TAS1R1ALDH1A1HPGDKDM4E
SCHEMBL1590579 0.88 SMN1; SMN2 (0.47) SMN1; SMN2HSD17B10ALDH1A1KDM4ETP53
SCHEMBL13047232 0.86 RXFP1 (0.53) TAS1R3TAS1R1TAS1R2SMN1; SMN2HSD17B10
SCHEMBL13047107 0.85 ALDH1A1 (0.43) TAS1R3TAS1R1TAS1R2SMN1; SMN2HSD17B10
SCHEMBL1590893 0.85 MEN1 (0.43) SMN1; SMN2ALDH1A1HPGDKDM4ETP53
SCHEMBL1590272 0.84 TAS1R3 (0.45) TAS1R3TAS1R1TAS1R2SMN1; SMN2TP53
SCHEMBL1590420 0.84 KMT2A (0.51) HSD17B10L3MBTL1ALDH1A1TP53LMNA
SCHEMBL13046874 0.83 GRM2 (0.43) TAS1R3TAS1R1TAS1R2SMN1; SMN2HSD17B10
SCHEMBL1591175 0.83 LMNA (0.46) ALDH1A1KDM4ETP53GRM2LMNA
SCHEMBL1590665 0.82 NPC1 (0.47) SMN1; SMN2ALDH1A1HPGDTP53GRM2

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 TAS1R3 4069/4885TAS1R1 4238/4885TAS1R2 4354/4885
US-20110092476-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof P2RX7, P2RX3, P2RX2 TAS1R3 4069/4885TAS1R1 4238/4885TAS1R2 4354/4885

“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.