SCHEMBL4987754

SCHEMBL4987754

O=C(CC12CC3CC(CC(C3)C1)C2)Nc1ncnc2c1CCN(Cc1cc(F)ccc1C(F)(F)F)C2

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
AR P10275 2/20 0.39
GRM2 Q14416 3/20 0.38
TSHR P16473 1/20 0.36
EPHX2 P34913 2/20 0.36
TRPC5 Q9UL62 2/20 0.36
TRPC4 Q9UBN4 1/20 0.36
C5AR1 P21730 1/20 0.35
P2RX7 Q99572 3/20 0.35

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
SCHEMBL4985272 0.94 AR (0.39) ARGRM2TSHREPHX2TRPC5
SCHEMBL4985491 0.90 P2RX7 (0.40) ARTSHRC5AR1P2RX7
SCHEMBL4988694 0.89 EPHX2 (0.39) GRM2TSHREPHX2P2RX7
SCHEMBL4992530 0.88 P2RX7 (0.44) GRM2EPHX2TRPC5P2RX7
SCHEMBL4988198 0.88 TSHR (0.36) ARTSHREPHX2C5AR1P2RX7
SCHEMBL4990773 0.88 TSHR (0.38) ARGRM2TSHREPHX2P2RX7
SCHEMBL4992261 0.88 C5AR1 (0.41) ARTSHRC5AR1P2RX7
SCHEMBL4990796 0.87 P2RX7 (0.41) TSHREPHX2TRPC5P2RX7
SCHEMBL4985205 0.86 EPHX2 (0.37) ARGRM2TSHREPHX2C5AR1
SCHEMBL4984994 0.86 EPHX2 (0.39) ARGRM2TSHREPHX2C5AR1

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 AR 2992/4885GRM2 1930/4885TSHR 2057/4885
US-20080039478-A1 Bicycloheteroaryl Compounds as P2X7 Modulators and Uses Thereof P2RX7, P2RX3, P2RX2 AR 3264/4885GRM2 332/4885TSHR 3850/4885

“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.