SCHEMBL5237404

SCHEMBL5237404

N#Cc1ccc2oc(CN3CCNCC3)cc2c1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 17/20 0.53
KCNH2 Q12809 1/20 0.44
HTR1A P08908 1/20 0.44
HTR2B P41595 1/20 0.44
CHRM2 P08172 1/20 0.43
CHRM4 P08173 1/20 0.43
CHRM5 P08912 1/20 0.43
CHRM1 P11229 1/20 0.43
CHRM3 P20309 1/20 0.43
KDM1A O60341 1/20 0.42

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
SCHEMBL28222857 0.81 SOS1 (0.56) HTR1AHTR2B
SCHEMBL15724788 0.81 ESRRG (0.48) HTR1AHTR2B
SCHEMBL2734626 0.79 HTR2B (0.68) HTR1AHTR2B
SCHEMBL15727727 0.77 MAOA (0.57) HRH3HTR1AHTR2BCHRM3
SCHEMBL14432506 0.76 SOS1 (0.58) HRH3CHRM3KDM1A
SCHEMBL5032875 0.76 HRH3 (0.51) HRH3KCNH2CHRM2CHRM4CHRM5
SCHEMBL5032985 0.76 HRH3 (0.58) HRH3KCNH2
SCHEMBL28222144 0.74 MAOA (0.60) HRH3HTR1AHTR2B
SCHEMBL22113436 0.74 HTR2B (0.73) HTR1AHTR2B
SCHEMBL5032790 0.73 HRH3 (0.55) HRH3KCNH2HTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1818326-A1 Nitrogen-containing heterocyclic compounds and pharmaceutical composition containing the compounds Eisai R&D Management Co., Ltd. (JP) 2007-08-15 EP disclosed
US-20060084658-A1 Nitrogen-containing cyclic compound and pharmaceutical composition containing the compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2006-04-20 US disclosed
US-20040220193-A1 Nitrogen-containing cyclic compound and pharmaceutical composition containing the compound EISAI CO., LTD. 2004-11-04 US disclosed
EP-1254895-A1 NITROGENOUS CYCLIC COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME Eisai Co., Ltd. (JP) 2002-11-06 EP 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-20040220193-A1 Nitrogen-containing cyclic compound and pharmaceutical composition containing the compound CACNA1D, CACNA1B, CACNA1E HRH3 124/4885KCNH2 85/4885HTR1A 126/4885
US-20060084658-A1 Nitrogen-containing cyclic compound and pharmaceutical composition containing the compound CACNA1B, CACNA1E, CACNA1D HRH3 63/4885KCNH2 76/4885HTR1A 202/4885

“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.