SCHEMBL4982819

SCHEMBL4982819

O=C(CC12CC3CC(CC(C3)C1)C2)Nc1ncnc2c1CCN(Cc1cccc(Oc3ccccc3)c1)C2

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.43
GAA P10253 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
CCR8 P51685 5/20 0.43
EPHX2 P34913 3/20 0.41
FAAH O00519 5/20 0.41
P2RX7 Q99572 1/20 0.40
KCNH2 Q12809 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MGLL Q99685 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
PTPN1 P18031 1/20 0.38

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
SCHEMBL4989379 0.93 P2RX7 (0.42) LMNAEPHX2FAAHP2RX7ALDH1A1
SCHEMBL4990757 0.91 P2RX7 (0.47) GAAEPHX2FAAHP2RX7PTPN1
SCHEMBL4983637 0.90 P2RX7 (0.47) LMNAP2RX7ALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL4993357 0.90 EPHX2 (0.46) EPHX2P2RX7L3MBTL1MEN1KMT2A
SCHEMBL14272464 0.90 TSHR (0.48) LMNAGAANPSR1CCR8EPHX2
SCHEMBL4985261 0.89 EPHX2 (0.41) EPHX2P2RX7PTPN1
SCHEMBL5011770 0.88 P2RX7 (0.42) LMNAGAAEPHX2P2RX7ALDH1A1
SCHEMBL4989721 0.87 MKNK1 (0.40) EPHX2P2RX7ALDH1A1MEN1KMT2A
SCHEMBL4987990 0.87 P2RX7 (0.42) LMNAEPHX2P2RX7SMN1; SMN2MEN1
SCHEMBL13532597 0.86 KDM4E (0.39) LMNAGAANPSR1CCR8FAAH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080039478-A1 Bicycloheteroaryl Compounds as P2X7 Modulators and Uses Thereof RENOVIS, INC. 2008-02-14 US claimed
EP-1860942-A2 BICYCLOHETEROARYL COMPOUNDS AS P2X7 MODULATORS AND USES THEREOF Renovis, Inc. (US) 2007-12-05 EP claimed
US-7297700-B2 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof RENOVIS, INC. (US) 2007-11-20 US claimed
WO-2006102610-A2 BICYCLOHETEROARYL COMPOUNDS AS P2X7 MODULATORS AND USES THEREOF RENOVIS, INC. (US) 2006-09-28 WO claimed
US-20060217448-A1 e.g. 4-benzyl-N-[2-(2-chlorophenyl)ethyl]-4,7,9-triazabicyclo[4.4.0]deca-7,9,11-triene-10-carboxamide; antiinflammatory and analgesic agent; rheumatoid arthritis, osteoarthritis, Parkinson's disease, uveitis, asthma, cardiovascular conditions, myocardial infarction RENOVIS, INC. 2006-09-28 US claimed
US-20080039478-A1 Bicycloheteroaryl Compounds as P2X7 Modulators and Uses Thereof RENOVIS, INC. 2008-02-14 US disclosed
US-20080039478-A1 Bicycloheteroaryl Compounds as P2X7 Modulators and Uses Thereof RENOVIS, INC. 2008-02-14 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-20060217448-A1 e.g. 4-benzyl-N-[2-(2-chlorophenyl)ethyl]-4,7,9-triazabicyclo[4.4.0]deca-7,9,11-triene-10-carboxamide; antiinflammatory and analgesic agent; rheumatoid arthritis, osteoarthritis, Parkinson's disease, uveitis, asthma, cardiovascular conditions, myocardial infarction PARK7, UACA, PTGER4 LMNA 1935/4885GAA 1017/4885NPSR1 2324/4885
US-20080039478-A1 Bicycloheteroaryl Compounds as P2X7 Modulators and Uses Thereof P2RX7, P2RX3, P2RX2 LMNA 1911/4885GAA 4179/4885NPSR1 326/4885

“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.