SCHEMBL305522

SCHEMBL305522

Cc1ccc2c(=O)n(CCN(C)C(=O)O)ccc2c1N

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.42
GRM2 Q14416 5/20 0.35
TACR1 P25103 1/20 0.33
TP53 P04637 1/20 0.33
POLB P06746 1/20 0.33
TNF P01375 4/20 0.32
SYK P43405 1/20 0.32
HTR2C P28335 1/20 0.32
RXFP1 Q9HBX9 1/20 0.31
LMNA P02545 1/20 0.31
EGLN1 Q9GZT9 2/20 0.31
KDM4E B2RXH2 1/20 0.31

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
SCHEMBL307653 0.84 PARP1 (0.36) PARP1GRM2TP53POLBTNF
SCHEMBL307763 0.81 ALDH1A1 (0.38) PARP1GRM2TACR1TP53POLB
SCHEMBL1590467 0.81 PARP1 (0.66) PARP1GRM2HTR2CLMNAEGLN1
SCHEMBL3341729 0.70 GAA (0.42) TP53POLBLMNAKDM4E
SCHEMBL307116 0.69 P2RX7 (0.64) RXFP1
SCHEMBL307484 0.67 AURKA (0.33) TP53POLBLMNA
SCHEMBL1590531 0.66 PARP1 (0.55) PARP1GRM2POLBEGLN1KDM4E
SCHEMBL3747700 0.65 PARP1 (0.62) PARP1GRM2HTR2C
SCHEMBL8233333 0.64 P2RX7 (0.46) LMNAKDM4E
SCHEMBL8229764 0.63 P2RX7 (0.45) PARP1GRM2POLB

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2124562-B1 BICYCLOHETEROARYL COMPOUNDS AS P2X7 MODULATORS AND USES THEREOF SECOND GENOME INC (US) 2016-04-20 EP disclosed
US-8093265-B2 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof RENOVIS, INC. (US) 2012-01-10 US disclosed
EP-2124562-A1 BICYCLOHETEROARYL COMPOUNDS AS P2X7 MODULATORS AND USES THEREOF Renovis, Inc. (US) 2009-12-02 EP disclosed
US-20080287415-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof SECOND GENOME, INC. 2008-11-20 US disclosed
WO-2008112205-A1 BICYCLOHETEROARYL COMPOUNDS AS P2X7 MODULATORS AND USES THEREOF RENOVIS, INC. (US) 2008-09-18 WO 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 (1 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-20080287415-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof P2RX7, P2RX3, P2RX2 PARP1 1735/4885GRM2 321/4885TACR1 144/4885

“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.