SCHEMBL4985272

SCHEMBL4985272

O=C(CC12CC3CC(CC(C3)C1)C2)Nc1ncnc2c1CCN(Cc1ccc(F)cc1C(F)(F)F)C2

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AR P10275 2/20 0.39
TRPC4 Q9UBN4 1/20 0.37
TRPC5 Q9UL62 1/20 0.37
TSHR P16473 1/20 0.36
GRM2 Q14416 2/20 0.36
HDAC6 Q9UBN7 1/20 0.36
P2RX7 Q99572 4/20 0.36
EPHX2 P34913 2/20 0.36
GPR183 P32249 1/20 0.35
ACHE P22303 1/20 0.35
C5AR1 P21730 1/20 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
SCHEMBL4987754 0.94 AR (0.39) ARTRPC4TRPC5TSHRGRM2
SCHEMBL4992261 0.92 C5AR1 (0.41) ARTSHRHDAC6P2RX7C5AR1
SCHEMBL4988694 0.90 EPHX2 (0.39) TSHRGRM2P2RX7EPHX2
SCHEMBL4985491 0.90 P2RX7 (0.40) ARTSHRP2RX7C5AR1
SCHEMBL4990796 0.89 P2RX7 (0.41) TRPC5TSHRP2RX7EPHX2
SCHEMBL4985205 0.88 EPHX2 (0.37) ARTSHRGRM2P2RX7EPHX2
SCHEMBL4988198 0.88 TSHR (0.36) ARTSHRP2RX7EPHX2C5AR1
SCHEMBL4992530 0.86 P2RX7 (0.44) TRPC5GRM2P2RX7EPHX2
SCHEMBL4984994 0.86 EPHX2 (0.39) ARTSHRGRM2P2RX7EPHX2
SCHEMBL4990773 0.86 TSHR (0.38) ARTSHRGRM2P2RX7EPHX2

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 AR 2992/4885TRPC4 608/4885TRPC5 918/4885
US-20080039478-A1 Bicycloheteroaryl Compounds as P2X7 Modulators and Uses Thereof P2RX7, P2RX3, P2RX2 AR 3264/4885TRPC4 90/4885TRPC5 249/4885

“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.