SCHEMBL4135955

SCHEMBL4135955

O=C(CC12CC3CC(CC(C3)C1)C2)Nc1cccc2c1CCN(Cc1cccnc1)C2=O

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.53
MEN1 O00255 1/20 0.52
USP2 O75604 1/20 0.52
DHPS P49366 3/20 0.52
HTT P42858 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
P2RX7 Q99572 7/20 0.43
LMNA P02545 4/20 0.43
ALDH1A1 P00352 3/20 0.43
MAPT P10636 1/20 0.40
KDM4E B2RXH2 1/20 0.40
HPGD P15428 1/20 0.40

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
SCHEMBL4141626 0.89 ALDH1A1 (0.53) KMT2AMEN1DHPSSMN1; SMN2P2RX7
SCHEMBL4147553 0.85 LMNA (0.52) KMT2AMEN1HTTSMN1; SMN2P2RX7
SCHEMBL4135701 0.83 P2RX7 (0.46) KMT2AMEN1USP2P2RX7LMNA
SCHEMBL4133203 0.83 P2RX7 (0.51) KMT2AMEN1USP2SMN1; SMN2P2RX7
SCHEMBL4137910 0.83 P2RX7 (0.45) HTTSMN1; SMN2P2RX7LMNAALDH1A1
SCHEMBL4144960 0.83 P2RX7 (0.43) HTTSMN1; SMN2P2RX7LMNAALDH1A1
SCHEMBL4147847 0.82 P2RX7 (0.46) P2RX7LMNAALDH1A1
SCHEMBL4133284 0.82 P2RX7 (0.47) KMT2AMEN1USP2P2RX7LMNA
SCHEMBL3008728 0.82 P2RX7 (0.49) P2RX7
SCHEMBL13243900 0.81 P2RX7 (0.48) 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 KMT2A 4614/4885MEN1 4853/4885USP2 4733/4885
US-20090170838-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof P2RX7, P2RX3, P2RX2 KMT2A 4614/4885MEN1 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.