Sugi Predict

Sugi Predict / Compounds / SCHEMBL4992464

SCHEMBL4992464

SCHEMBL4992464

COc1ccccc1C(=O)N1CCc2c(ncnc2NC(=O)CC23CC4CC(CC(C4)C2)C3)C1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ P2RX7 Q99572 8/20 0.48
▸ KMT2A Q03164 2/20 0.44
▸ ALDH1A1 P00352 1/20 0.40
▸ ALOX12 P18054 1/20 0.40
▸ FAAH O00519 1/20 0.39
▸ CNR2 P34972 1/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ PDE4B Q07343 1/20 0.39
▸ EPHX2 P34913 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
SCHEMBL4982972 0.90 P2RX7 (0.50) P2RX7KMT2AALDH1A1
SCHEMBL4989523 0.90 P2RX7 (0.40) P2RX7ALDH1A1ALOX12
SCHEMBL4991023 0.89 P2RX7 (0.50) P2RX7ALDH1A1ALOX12
SCHEMBL13532553 0.88 P2RX7 (0.49) P2RX7KMT2AALDH1A1FAAHCNR2
SCHEMBL14272344 0.88 TSHR (0.52) P2RX7KMT2AALDH1A1FAAHCNR2
SCHEMBL4988782 0.87 P2RX7 (0.50) P2RX7ALDH1A1ALOX12
SCHEMBL4984995 0.87 P2RX7 (0.42) P2RX7KMT2AALDH1A1ALOX12EPHX2
SCHEMBL4989409 0.86 MAPK1 (0.44) P2RX7KMT2AALDH1A1CNR2NPC1
SCHEMBL4986247 0.85 P2RX7 (0.47) P2RX7KMT2AALDH1A1ALOX12
SCHEMBL4982483 0.85 P2RX7 (0.49) P2RX7ALDH1A1ALOX12

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 7 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
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 1619/4885KMT2A 3134/4885ALDH1A1 1289/4885
US-20080039478-A1 Bicycloheteroaryl Compounds as P2X7 Modulators and Uses Thereof P2RX7, P2RX3, P2RX2 P2RX7 1/4885KMT2A 4614/4885ALDH1A1 3640/4885

“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.