SCHEMBL6285265

SCHEMBL6285265

[C-]#[N+]CCCCCCNc1c(-c2ccccc2OC)nc2ccc(C)cn12

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 14/20 0.48
ATM Q13315 3/20 0.41
ALOX5 P09917 1/20 0.41
NTSR1 P30989 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
RCE1 Q9Y256 1/20 0.40

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
SCHEMBL5169503 0.86 ATM (0.53) NR1H4ATMNTSR1RXFP1RCE1
SCHEMBL6285249 0.84 NR1H4 (0.63) NR1H4ATMALOX5NTSR1RXFP1
SCHEMBL5165933 0.73 CREBBP (0.38) NR1H4
SCHEMBL5166363 0.71 ATM (0.54) NR1H4ATMNTSR1
SCHEMBL6285593 0.70 NR1H4 (0.48) NR1H4ATMALOX5
SCHEMBL4476462 0.68 NR1H4 (0.68) NR1H4ATM
Hydrochloric Acid SCHEMBL4495467 0.67 NR1H4 (0.67) NR1H4ATM
SCHEMBL6643825 0.65 PTGS2 (0.55) NR1H4ATMRXFP1
SCHEMBL6644325 0.65 GAA (0.56) NR1H4RCE1
SCHEMBL2619797 0.64 GAA (0.55) NR1H4ATMALOX5RXFP1

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-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
US-20020183327-A1 Bicyclic imidazo-3-yl-amine derivatives substituted on the 6-membered ring GRUENENTHAL GMBH. 2002-12-05 US 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

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 451/4885ATM 4457/4885ALOX5 2675/4885

“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.