SCHEMBL6304992

SCHEMBL6304992

Nc1cccnc1OCCOC1CCCCO1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 1/20 0.46
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
GRM4 Q14833 3/20 0.39
P2RX3 P56373 4/20 0.38
MET P08581 2/20 0.36
DHFR P00374 1/20 0.36
TGFBR1 P36897 1/20 0.34
TNK2 Q07912 1/20 0.32
ROCK2 O75116 1/20 0.31

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
SCHEMBL1802687 0.88 MEN1 (0.47) KDM4CKMT2AMEN1L3MBTL1NPC1
SCHEMBL23835071 0.85 KDM4C (0.46) KDM4CKMT2AMEN1L3MBTL1NPC1
SCHEMBL6304989 0.83 MEN1 (0.46) KDM4CKMT2AMEN1L3MBTL1NPC1
SCHEMBL17176924 0.82 KDM4C (0.45) KDM4CKMT2AMEN1L3MBTL1NPC1
SCHEMBL6309376 0.80 LTA4H (0.43) KDM4CKMT2AMEN1L3MBTL1NPC1
SCHEMBL14334269 0.80 KDM4E (0.39) L3MBTL1NPC1ROCK2
SCHEMBL17077796 0.77 KDM4C (0.43) KDM4CKMT2AMEN1L3MBTL1NPC1
SCHEMBL3114026 0.77 KDM4C (0.46) KDM4CKMT2AMEN1L3MBTL1NPC1
SCHEMBL7466898 0.75 KDM4C (0.53) KDM4CKMT2AMEN1L3MBTL1NPC1
SCHEMBL5585308 0.75 KDM4C (0.45) KDM4CKMT2AMEN1L3MBTL1NPC1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6949562-B2 Heterocyclic compounds as ligands of the GABAA receptor NEUROGEN CORPORATION (US) 2005-09-27 US disclosed
US-20040110778-A1 Heterocyclic compounds as ligands of the GABAA receptor YOHANNES DANIEL (US) 2004-06-10 US disclosed
US-6653471-B2 Tricyclic heteroaromatic compounds containing pyrrole ring; central nervous system disorder treatment; side effect reduction NEUROGEN CORPORATION 2003-11-25 US disclosed
EP-1325006-A2 HETEROCYCLIC COMPOUNDS AS LIGANDS OF THE GABA A? RECEPTOR NEUROGEN CORPORATION (US) 2003-07-09 EP disclosed
US-20030105081-A1 Heterocyclic compounds as ligands of the GABAA receptor PFIZER INC 2003-06-05 US disclosed
WO-2002012442-A2 HETEROCYCLIC COMPOUNDS AS LIGANDS OF THE GABAA RECEPTOR NEUROGEN CORPORATION (US) 2002-02-14 WO 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-20030105081-A1 Heterocyclic compounds as ligands of the GABAA receptor GABRB1, GABRP, GABRA1 KDM4C 2965/4885KMT2A 2120/4885MEN1 2641/4885
US-20040110778-A1 Heterocyclic compounds as ligands of the GABAA receptor GABRB1, GABRP, GABRA1 KDM4C 2965/4885KMT2A 2120/4885MEN1 2641/4885

“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.