SCHEMBL1590904

SCHEMBL1590904

COc1cccc(CCC(=O)Nc2cccc3c(=O)n(C(C)CO)ccc23)c1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 6/20 0.56
GRM2 Q14416 2/20 0.48
POLB P06746 2/20 0.48
ADORA3 P0DMS8 1/20 0.47
MAOB P27338 1/20 0.47
ADORA2A P29274 1/20 0.47
ADORA2B P29275 1/20 0.47
ADORA1 P30542 1/20 0.47
RAB9A P51151 1/20 0.45
HCAR2 Q8TDS4 2/20 0.45
CASP3 P42574 1/20 0.44
CASP7 P55210 1/20 0.44
HPGD P15428 1/20 0.42

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
SCHEMBL1590357 0.91 P2RX7 (0.58) P2RX7GRM2POLBRAB9AHCAR2
SCHEMBL1589563 0.86 P2RX7 (0.64) P2RX7GRM2POLB
SCHEMBL13046669 0.84 GRM2 (0.55) GRM2POLBADORA3MAOBADORA2A
SCHEMBL1590515 0.83 GRM2 (0.55) GRM2POLBADORA3MAOBADORA2A
SCHEMBL1591045 0.83 P2RX7 (0.56) P2RX7GRM2RAB9ACASP3CASP7
SCHEMBL1590154 0.83 P2RX7 (0.65) P2RX7GRM2POLBRAB9AHPGD
SCHEMBL1591395 0.83 ALDH1A1 (0.47) P2RX7GRM2POLBADORA3MAOB
SCHEMBL1590994 0.82 P2RX7 (0.57) P2RX7POLB
SCHEMBL1591754 0.82 P2RX7 (0.57) P2RX7POLB
SCHEMBL1590373 0.82 P2RX7 (0.59) P2RX7GRM2POLBRAB9AHPGD

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 P2RX7 1/4885GRM2 332/4885POLB 3676/4885
US-20110092476-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof P2RX7, P2RX3, P2RX2 P2RX7 1/4885GRM2 332/4885POLB 3676/4885

“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.