SCHEMBL4137913

SCHEMBL4137913

O=C(CC12CC3CC(CC(C3)C1)C2)Nc1cccc2c(=O)n(Cc3cccnc3)ccc12

nearest known ligand 0.60

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 14/20 0.60
MEN1 O00255 1/20 0.54
USP2 O75604 1/20 0.54
KMT2A Q03164 1/20 0.54
DHPS P49366 1/20 0.48
CYP17A1 P05093 1/20 0.46
CYP19A1 P11511 1/20 0.46
HSD11B1 P28845 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL4145623 0.91 P2RX7 (0.58) P2RX7MEN1USP2KMT2ACYP17A1
SCHEMBL4140355 0.90 P2RX7 (0.63) P2RX7MEN1USP2KMT2ASMN1; SMN2
SCHEMBL4141508 0.89 P2RX7 (0.66) P2RX7MEN1KMT2A
SCHEMBL4157438 0.88 P2RX7 (0.49) P2RX7MEN1USP2KMT2ADHPS
SCHEMBL13047300 0.86 DHPS (0.47) P2RX7DHPSCYP17A1CYP19A1HSD11B1
SCHEMBL4140790 0.84 P2RX7 (0.63) P2RX7SMN1; SMN2
SCHEMBL13774233 0.83 P2RX7 (0.43) P2RX7MEN1USP2KMT2ADHPS
SCHEMBL4147336 0.83 P2RX7 (0.61) P2RX7MEN1USP2KMT2ASMN1; SMN2
SCHEMBL4144912 0.83 P2RX7 (0.61) P2RX7
SCHEMBL4142177 0.83 P2RX7 (0.61) P2RX7MEN1KMT2A

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 1/4885MEN1 4853/4885USP2 4733/4885
US-20090170838-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof P2RX7, P2RX3, P2RX2 P2RX7 1/4885MEN1 4853/4885USP2 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.