Sugi Predict

Sugi Predict / Compounds / SCHEMBL4993442

SCHEMBL4993442

SCHEMBL4993442

COc1cc(CN2CCc3c(ncnc3NC(=O)CC34CC5CC(CC(C5)C3)C4)C2)ccc1O

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.43
▸ ALDH1A1 P00352 3/20 0.43
▸ NPSR1 Q6W5P4 2/20 0.43
▸ MAPT P10636 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ TAAR1 Q96RJ0 1/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ P2RX7 Q99572 4/20 0.42
▸ PDE4B Q07343 1/20 0.40
▸ TSHR P16473 1/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ ABCB1 P08183 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
SCHEMBL4982878 0.94 P2RX7 (0.43) KDM4EALDH1A1NPSR1MEN1KMT2A
SCHEMBL4992539 0.92 EPHX2 (0.43) MEN1KMT2AP2RX7TSHR
SCHEMBL4988536 0.91 P2RX7 (0.44) ALDH1A1NPSR1MEN1KMT2AP2RX7
SCHEMBL5142941 0.90 P2RX7 (0.45) ALDH1A1NPSR1MEN1KMT2AP2RX7
SCHEMBL4984836 0.90 P2RX7 (0.41) MAPTMEN1KMT2AP2RX7TSHR
SCHEMBL4985490 0.88 P2RX7 (0.48) ALDH1A1MEN1KMT2AP2RX7TSHR
SCHEMBL4990757 0.87 P2RX7 (0.47) P2RX7TSHR
SCHEMBL5142350 0.86 P2RX7 (0.45) KDM4EALDH1A1NPSR1MEN1KMT2A
SCHEMBL4982547 0.85 TSHR (0.43) KDM4EALDH1A1NPSR1MEN1KMT2A
SCHEMBL4986137 0.85 TSHR (0.43) KDM4EALDH1A1P2RX7TSHRTDP1

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 KDM4E 2655/4885ALDH1A1 1289/4885NPSR1 2324/4885
US-20080039478-A1 Bicycloheteroaryl Compounds as P2X7 Modulators and Uses Thereof P2RX7, P2RX3, P2RX2 KDM4E 4128/4885ALDH1A1 3640/4885NPSR1 326/4885

“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.