SCHEMBL4298923

SCHEMBL4298923

CCn1cnc2c1c(=O)n(CCCCC(C)=O)c(=O)n2CC

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 11/20 0.69
LMNA P02545 2/20 0.69
CYP1A2 P05177 2/20 0.69
NFKB1 P19838 2/20 0.69
ACHE P22303 2/20 0.69
PMP22 Q01453 2/20 0.69
ESR1 P03372 1/20 0.69
MAPT P10636 1/20 0.69
BLM P54132 1/20 0.69
PDE4B Q07343 10/20 0.65
PDE4C Q08493 10/20 0.65
PDE4D Q08499 10/20 0.65
ADORA2A P29274 4/20 0.65
ADORA2B P29275 3/20 0.65
TNF P01375 3/20 0.61
RXFP1 Q9HBX9 2/20 0.61
USP2 O75604 1/20 0.61
TSHR P16473 1/20 0.61
SMN1; SMN2 Q16637 1/20 0.61
MAPK1 P28482 1/20 0.59

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
SCHEMBL7793146 0.93 PDE4A (0.81) PDE4ALMNACYP1A2NFKB1ACHE
SCHEMBL8362364 0.91 RXFP1 (0.67) PDE4ALMNACYP1A2NFKB1ACHE
SCHEMBL10784646 0.90 PDE4A (0.84) PDE4ALMNACYP1A2NFKB1ACHE
SCHEMBL7802154 0.89 PDE4A (0.75) PDE4ALMNACYP1A2NFKB1ACHE
SCHEMBL10346579 0.88 PDE4A (0.76) PDE4ALMNACYP1A2NFKB1ACHE
SCHEMBL7793096 0.88 PDE4A (0.84) PDE4ALMNACYP1A2NFKB1ACHE
SCHEMBL10873386 0.88 PDE4A (0.77) PDE4ALMNACYP1A2NFKB1ACHE
SCHEMBL7564102 0.87 PDE4A (0.60) PDE4ALMNACYP1A2NFKB1ACHE
SCHEMBL7802893 0.87 PDE4A (0.83) PDE4ALMNACYP1A2NFKB1ACHE
SCHEMBL10871504 0.87 PDE4A (0.74) PDE4ALMNACYP1A2NFKB1ACHE

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-4636507-A Host defense mechanism enhancement HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1987-01-13 US claimed
JP-54112893-A None JP disclosed
US-20090209615-A1 INHIBITORS OF MATRIX METALLOPROTEINASES TO TREAT NEUROLOGICAL DISORDERS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2009-08-20 US disclosed
WO-2006036928-A2 INHIBITORS OF MATRIX METALLOPROTEINASES TO TREAT NEUROLOGICAL DISORDERS WAYNE STATE UNIVERSITY (US) 2006-04-06 WO disclosed
JP-S54112893-A PREPARATION OF 1-(5'-OXOHEXYL)-3,7-DIETHYLXANTHINE KOHJIN CO LTD 1979-09-04 JP 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 (1 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-20090209615-A1 INHIBITORS OF MATRIX METALLOPROTEINASES TO TREAT NEUROLOGICAL DISORDERS MMP9, MMP10, MMP17 PDE4A 1051/4885LMNA 1476/4885CYP1A2 1149/4885

“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.