SCHEMBL4985491

SCHEMBL4985491

O=C(CC12CC3CC(CC(C3)C1)C2)Nc1ncnc2c1CCN(Cc1ccccc1C(F)(F)F)C2

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 3/20 0.40
C5AR1 P21730 1/20 0.40
TSHR P16473 1/20 0.38
AR P10275 1/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
USP2 O75604 1/20 0.37
ALDH1A1 P00352 4/20 0.36
TAAR1 Q96RJ0 1/20 0.36
COMT P21964 1/20 0.36
ALOX12 P18054 1/20 0.36
KDM4E B2RXH2 4/20 0.36
GAA P10253 1/20 0.36
ATM Q13315 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
GPR52 Q9Y2T5 1/20 0.36

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
SCHEMBL4988198 0.93 TSHR (0.36) P2RX7C5AR1TSHRARMEN1
SCHEMBL4992261 0.90 C5AR1 (0.41) P2RX7C5AR1TSHRAR
SCHEMBL4987754 0.90 AR (0.39) P2RX7C5AR1TSHRAR
SCHEMBL4985272 0.90 AR (0.39) P2RX7C5AR1TSHRAR
SCHEMBL4985443 0.89 P2RX7 (0.42) P2RX7TSHRMEN1KMT2AUSP2
SCHEMBL4990341 0.88 EPHX2 (0.38) P2RX7TSHRARMEN1KMT2A
SCHEMBL4988897 0.88 P2RX7 (0.38) P2RX7TSHR
SCHEMBL4988478 0.87 P2RX7 (0.50) P2RX7TSHRMEN1KMT2AUSP2
SCHEMBL4985517 0.87 P2RX7 (0.50) P2RX7TSHRMEN1KMT2AUSP2
SCHEMBL4983637 0.85 P2RX7 (0.47) P2RX7TSHRMEN1KMT2AUSP2

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 4 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

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 1619/4885C5AR1 445/4885TSHR 2057/4885
US-20080039478-A1 Bicycloheteroaryl Compounds as P2X7 Modulators and Uses Thereof P2RX7, P2RX3, P2RX2 P2RX7 1/4885C5AR1 114/4885TSHR 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.