SCHEMBL4145622

SCHEMBL4145622

Cc1cc(CN2CCc3c(NC(=O)CC45CC6CC(CC(C6)C4)C5)cccc3C2=O)no1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 10/20 0.46
ALDH1A1 P00352 4/20 0.46
USP2 O75604 1/20 0.46
LMNA P02545 4/20 0.40
MAPT P10636 3/20 0.40
POLB P06746 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
RECQL P46063 1/20 0.39

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
SCHEMBL4141572 0.86 P2RX7 (0.46) P2RX7ALDH1A1LMNAMAPT
SCHEMBL4133284 0.86 P2RX7 (0.47) P2RX7ALDH1A1USP2LMNAMAPT
SCHEMBL4135701 0.84 P2RX7 (0.46) P2RX7ALDH1A1USP2LMNA
SCHEMBL4136021 0.83 P2RX7 (0.57) P2RX7ALDH1A1LMNAMAPT
SCHEMBL4141626 0.82 ALDH1A1 (0.53) P2RX7ALDH1A1LMNAMAPTPOLB
SCHEMBL4133203 0.82 P2RX7 (0.51) P2RX7ALDH1A1USP2LMNAMAPT
SCHEMBL4144662 0.81 POLB (0.50) P2RX7ALDH1A1MAPTPOLBNPSR1
SCHEMBL4142086 0.81 P2RX7 (0.46) P2RX7ALDH1A1LMNA
SCHEMBL4147847 0.81 P2RX7 (0.46) P2RX7ALDH1A1LMNA
SCHEMBL3008728 0.80 P2RX7 (0.49) P2RX7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090170838-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof RENOVIS, INC. 2009-07-02 US claimed
US-7402596-B2 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof RENOVIS, INC. (US) 2008-07-22 US claimed
EP-1865774-A1 BICYCLOHETEROARYL COMPOUNDS AS P2X7 MODULATORS AND USES THEREOF Renovis, Inc. (US) 2007-12-19 EP claimed
US-20070197565-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof RENOVIS, INC. 2007-08-23 US claimed
WO-2006102588-A1 BICYCLOHETEROARYL COMPOUNDS AS P2X7 MODULATORS AND USES THEREOF RENOVIS, INC. (US) 2006-09-28 WO claimed
US-20090170838-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof RENOVIS, INC. 2009-07-02 US disclosed
US-20090170838-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof RENOVIS, INC. 2009-07-02 US disclosed
US-7402596-B2 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof RENOVIS, INC. (US) 2008-07-22 US disclosed
US-7402596-B2 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof RENOVIS, INC. (US) 2008-07-22 US disclosed
US-20070197565-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof RENOVIS, INC. 2007-08-23 US disclosed
US-20070197565-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof RENOVIS, INC. 2007-08-23 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-20070197565-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof P2RX7, P2RX3, P2RX2 P2RX7 1/4885ALDH1A1 3640/4885USP2 4733/4885
US-20090170838-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof P2RX7, P2RX3, P2RX2 P2RX7 1/4885ALDH1A1 3640/4885USP2 4733/4885

“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.