SCHEMBL4985205

SCHEMBL4985205

O=C(CC12CC3CC(CC(C3)C1)C2)Nc1ncnc2c1CCN(Cc1ccc(C(F)(F)F)cc1F)C2

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.37
CXCR3 P49682 1/20 0.37
TSHR P16473 1/20 0.36
C5AR1 P21730 3/20 0.36
PDE2A O00408 1/20 0.35
AR P10275 1/20 0.35
KDR P35968 2/20 0.34
P2RX7 Q99572 3/20 0.34
RIPK3 Q9Y572 1/20 0.34
JAK2 O60674 1/20 0.34
JAK1 P23458 1/20 0.34
TYK2 P29597 1/20 0.34
JAK3 P52333 1/20 0.34
GRM2 Q14416 1/20 0.34

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
SCHEMBL4984994 0.94 EPHX2 (0.39) EPHX2CXCR3TSHRC5AR1AR
SCHEMBL4992261 0.92 C5AR1 (0.41) TSHRC5AR1ARKDRP2RX7
SCHEMBL4988694 0.90 EPHX2 (0.39) EPHX2CXCR3TSHRP2RX7GRM2
SCHEMBL14272521 0.90 TSHR (0.48) CXCR3TSHRC5AR1PDE2AKDR
SCHEMBL4985453 0.90 CXCR3 (0.47) EPHX2CXCR3TSHRP2RX7GRM2
SCHEMBL4985518 0.88 TSHR (0.41) TSHRP2RX7GRM2
SCHEMBL4985272 0.88 AR (0.39) EPHX2TSHRC5AR1ARP2RX7
SCHEMBL4985443 0.87 P2RX7 (0.42) EPHX2TSHRP2RX7
SCHEMBL4988633 0.87 P2RX7 (0.47) EPHX2CXCR3P2RX7GRM2
SCHEMBL4986930 0.87 SIGMAR1 (0.41) EPHX2TSHRC5AR1KDRP2RX7

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 5 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
US-7297700-B2 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof RENOVIS, INC. (US) 2007-11-20 US 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 EPHX2 437/4885CXCR3 864/4885TSHR 2057/4885
US-20080039478-A1 Bicycloheteroaryl Compounds as P2X7 Modulators and Uses Thereof P2RX7, P2RX3, P2RX2 EPHX2 569/4885CXCR3 63/4885TSHR 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.