SCHEMBL6123545

SCHEMBL6123545

CC(=O)N1CC(Oc2cccnc2)C1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.51
SPR P35270 1/20 0.50
GRIN1 Q05586 2/20 0.48
GRIN2B Q13224 2/20 0.48
CHRNB2 P17787 2/20 0.48
CHRNA4 P43681 2/20 0.48
CYP1A2 P05177 1/20 0.47
EPHX2 P34913 1/20 0.46
CYP11B1 P15538 1/20 0.44
CYP11B2 P19099 1/20 0.44
NAMPT P43490 1/20 0.44
CYP4A11 Q02928 2/20 0.43
CYP4F2 P78329 1/20 0.43

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
SCHEMBL6123504 0.89 SPR (0.60) HRH3SPRCYP1A2EPHX2CYP11B1
SCHEMBL27145844 0.87 SPR (0.51) HRH3SPRGRIN1GRIN2BCHRNB2
SCHEMBL13838838 0.85 SPR (0.53) HRH3SPRGRIN1GRIN2BCHRNB2
SCHEMBL13819925 0.85 SPR (0.47) HRH3SPRGRIN1GRIN2BCHRNB2
SCHEMBL18307626 0.85 NAMPT (0.55) HRH3SPRGRIN1GRIN2BCHRNB2
SCHEMBL29548089 0.82 GPR119 (0.53) HRH3SPRGRIN1GRIN2BCHRNB2
SCHEMBL6306297 0.82 GPR119 (0.53) HRH3SPRGRIN1GRIN2BCHRNB2
SCHEMBL6123500 0.81 SCD (0.51) NAMPT
SCHEMBL12819481 0.80 CHRNB2 (0.54) GRIN1GRIN2BCHRNB2CHRNA4
SCHEMBL19741109 0.79 SPR (0.61) HRH3SPRGRIN1GRIN2BCHRNB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3275870-B1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS GILEAD SCIENCES INC (US) 2020-02-05 EP disclosed
EP-3275870-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS Gilead Sciences, Inc. (US) 2018-01-31 EP disclosed
EP-2707361-B1 FUSED HETEROCYCLIC COMPOUNDS AS SODIUM CHANNEL MODULATORS GILEAD SCIENCES INC (US) 2017-08-23 EP disclosed
US-9682998-B2 Fused heterocyclic compounds as ion channel modulators GILEAD SCIENCES, INC. (US) 2017-06-20 US disclosed
US-20160362421-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS GILEAD SCIENCES, INC. 2016-12-15 US disclosed
US-9403782-B2 Fused heterocyclic compounds as ion channel modulators GILEAD SCIENCES, INC. (US) 2016-08-02 US disclosed
US-9115096-B2 Fused heterocyclic compounds as ion channel modulators GILEAD SCIENCES, INC. (US) 2015-08-25 US disclosed
US-20120289493-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS GILEAD SCIENCES, INC. 2012-11-15 US disclosed
US-8173680-B2 Cannabinoid receptor modulators 7TM PHARMA A/S (DK) 2012-05-08 US disclosed
US-20100292273-A1 Cannabinoid Receptor Modulators 7TM PHARMA A/S (DK) 2010-11-18 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 (3 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-20100292273-A1 Cannabinoid Receptor Modulators CNR1, CNR2, CBR1 HRH3 55/4885SPR 2775/4885GRIN1 1331/4885
US-20120289493-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS KCNJ2, CACNA1A, KCNH2 HRH3 2323/4885SPR 3592/4885GRIN1 355/4885
US-20160362421-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS KCNJ2, CACNA1A, KCNH2 HRH3 2323/4885SPR 3592/4885GRIN1 355/4885

“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.