SCHEMBL4985340

SCHEMBL4985340

O=C(CC12CC3CC(CC(C3)C1)C2)Nc1ncnc2c1CCN(CCCc1ccccc1)C2

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 4/20 0.44
PTPN2 P17706 1/20 0.43
PTPN1 P18031 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
EPHX2 P34913 5/20 0.41
TSHR P16473 1/20 0.40
LMNA P02545 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
USP2 O75604 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
SCHEMBL4980956 0.95 P2RX7 (0.46) P2RX7PTPN2PTPN1MEN1KMT2A
SCHEMBL4983637 0.89 P2RX7 (0.47) P2RX7MEN1KMT2ATSHRLMNA
SCHEMBL14272458 0.89 TSHR (0.53) PTPN2PTPN1EPHX2TSHR
SCHEMBL4988545 0.87 TSHR (0.43) P2RX7KMT2AEPHX2TSHRLMNA
SCHEMBL4992072 0.85 TSHR (0.45) P2RX7MEN1KMT2AEPHX2TSHR
SCHEMBL13532581 0.85 SIGMAR1 (0.39) P2RX7PTPN2PTPN1EPHX2
SCHEMBL4990836 0.84 ALDH1A1 (0.46) P2RX7MEN1KMT2ATSHRLMNA
SCHEMBL14272208 0.84 TSHR (0.41) P2RX7MEN1KMT2AEPHX2TSHR
SCHEMBL4989489 0.82 ALDH1A1 (0.49) P2RX7MEN1KMT2ATSHRLMNA
SCHEMBL4988064 0.82 ALDH1A1 (0.47) P2RX7MEN1KMT2ATSHRLMNA

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 6 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

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 P2RX7 1619/4885PTPN2 3606/4885PTPN1 3852/4885
US-20080039478-A1 Bicycloheteroaryl Compounds as P2X7 Modulators and Uses Thereof P2RX7, P2RX3, P2RX2 P2RX7 1/4885PTPN2 1071/4885PTPN1 1020/4885

“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.