SCHEMBL6285249

SCHEMBL6285249

[C-]#[N+]CCCCCCNc1c(-c2ccc(OC)c(OC)c2)nc2ccc(C)cn12

nearest known ligand 0.63

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 5/20 0.63
ALOX5 P09917 7/20 0.58
KDM4E B2RXH2 1/20 0.56
ATM Q13315 4/20 0.50
NTSR1 P30989 1/20 0.50
RXFP1 Q9HBX9 1/20 0.50
RCE1 Q9Y256 1/20 0.50
EPHX2 P34913 5/20 0.49
TP53 P04637 1/20 0.47
GAA P10253 1/20 0.47
MAPT P10636 1/20 0.47
TRIM33 Q9UPN9 1/20 0.44

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
SCHEMBL6285593 0.87 NR1H4 (0.48) NR1H4ALOX5KDM4EATMGAA
SCHEMBL6285265 0.84 NR1H4 (0.48) NR1H4ALOX5ATMNTSR1RXFP1
SCHEMBL7021202 0.81 ALOX5 (0.48) NR1H4ALOX5KDM4EEPHX2TP53
SCHEMBL5166497 0.77 NR1H4 (0.48) NR1H4ALOX5KDM4EATMGAA
SCHEMBL5421593 0.76 NR1H4 (0.81) NR1H4ALOX5KDM4EATMGAA
SCHEMBL2611913 0.73 ALOX5 (0.65) NR1H4ALOX5KDM4EEPHX2TP53
SCHEMBL5370506 0.72 GAA (0.80) NR1H4ALOX5KDM4ETP53GAA
SCHEMBL5369551 0.69 KDM4E (0.75) NR1H4KDM4EATMGAAMAPT
SCHEMBL27101575 0.69 TRIM33 (0.57) NR1H4ALOX5KDM4EGAATRIM33
SCHEMBL5169503 0.69 ATM (0.53) NR1H4ATMNTSR1RXFP1RCE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6849642-B2 Bicyclic imidazo-3-yl-amine derivatives substituted on the 6-membered ring GRUENENTHAL GMBH (DE) 2005-02-01 US claimed
EP-1218380-B1 BICYCLIC IMIDAZO-3-YL-AMINE DERIVATIVES WHICH ARE SUBSTITUTED ON THE SIXTH RING GRUENENTHAL GMBH (DE) 2003-12-17 EP claimed
JP-2003517466-A 2003-05-27 JP claimed
US-20020183327-A1 Bicyclic imidazo-3-yl-amine derivatives substituted on the 6-membered ring GRUENENTHAL GMBH. 2002-12-05 US claimed
EP-1218380-A2 BICYCLIC IMIDAZO-3-YL-AMINE DERIVATIVES WHICH ARE SUBSTITUTED ON THE SIXTH RING Grünenthal GmbH (DE) 2002-07-03 EP claimed
WO-2001027110-A2 BICYCLIC IMIDAZO-3-YL-AMINE DERIVATIVES WHICH ARE SUBSTITUTED ON THE SIXTH RING Grünenthal GmbH (DE) 2001-04-19 WO claimed
US-6849642-B2 Bicyclic imidazo-3-yl-amine derivatives substituted on the 6-membered ring GRUENENTHAL GMBH (DE) 2005-02-01 US disclosed
EP-1218380-B1 BICYCLIC IMIDAZO-3-YL-AMINE DERIVATIVES WHICH ARE SUBSTITUTED ON THE SIXTH RING GRUENENTHAL GMBH (DE) 2003-12-17 EP disclosed
US-20020183327-A1 Bicyclic imidazo-3-yl-amine derivatives substituted on the 6-membered ring GRUENENTHAL GMBH. 2002-12-05 US disclosed
EP-1218380-A2 BICYCLIC IMIDAZO-3-YL-AMINE DERIVATIVES WHICH ARE SUBSTITUTED ON THE SIXTH RING Grünenthal GmbH (DE) 2002-07-03 EP disclosed
WO-2001027110-A2 BICYCLIC IMIDAZO-3-YL-AMINE DERIVATIVES WHICH ARE SUBSTITUTED ON THE SIXTH RING Grünenthal GmbH (DE) 2001-04-19 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 (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-20020183327-A1 Bicyclic imidazo-3-yl-amine derivatives substituted on the 6-membered ring OPRK1, GRIN3A, OPRM1 NR1H4 451/4885ALOX5 2675/4885KDM4E 2195/4885

“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.