SCHEMBL3524324

SCHEMBL3524324

O=c1n(CC[C@H]2CO2)nc2ccccn12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 11/20 0.46
HTR2A P28223 11/20 0.46
HTR1A P08908 10/20 0.46
KCNH2 Q12809 4/20 0.46
KDM4E B2RXH2 2/20 0.46
ALDH1A1 P00352 2/20 0.46
HPGD P15428 2/20 0.46
HSD17B10 Q99714 2/20 0.46
SLC6A4 P31645 2/20 0.46
ADRA1A P35348 2/20 0.46
HRH1 P35367 2/20 0.46
ABCB11 O95342 1/20 0.46
LMNA P02545 1/20 0.46
ADRA2A P08913 1/20 0.46
CYP2D6 P10635 1/20 0.46
ADRA2B P18089 1/20 0.46
ADRA2C P18825 1/20 0.46
DRD1 P21728 1/20 0.46
DRD4 P21917 1/20 0.46
HRH2 P25021 1/20 0.46

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
SCHEMBL3524327 1.00 DRD2 (0.46) DRD2HTR2AHTR1AKCNH2KDM4E
SCHEMBL3522950 0.86 DRD2 (0.47) DRD2HTR2AHTR1AKCNH2KDM4E
SCHEMBL5669383 0.76 HTR1A (0.51) DRD2HTR2AHTR1AKCNH2KDM4E
SCHEMBL8242911 0.76 HTR1A (0.48) DRD2HTR2AHTR1AKCNH2KDM4E
SCHEMBL9379524 0.76 HTR1A (0.48) DRD2HTR2AHTR1AKCNH2KDM4E
SCHEMBL20456303 0.76 HTR1A (0.48) DRD2HTR2AHTR1AKCNH2KDM4E
SCHEMBL3517324 0.74 HTR1A (0.52) DRD2HTR2AHTR1AKCNH2KDM4E
SCHEMBL268805 0.74 HTR1A (0.55) DRD2HTR2AHTR1AKCNH2KDM4E
SCHEMBL267610 0.74 HTR1A (0.52) DRD2HTR2AHTR1AKCNH2KDM4E
SCHEMBL104387 0.72 HTR1A (0.46) DRD2HTR2AHTR1AKCNH2KDM4E

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
US-8252810-B2 Bicycloamine derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-08-28 US disclosed
US-8252810-B2 Bicycloamine derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-08-28 US disclosed
US-8252810-B2 Bicycloamine derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-08-28 US disclosed
US-20100331310-A1 BICYCLOAMINE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-12-30 US disclosed
US-20100331310-A1 BICYCLOAMINE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-12-30 US disclosed
US-20100331310-A1 BICYCLOAMINE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-12-30 US disclosed
EP-2241567-A1 BICYCLOAMINE DERIVATIVE Eisai R&D Management Co., Ltd. (JP) 2010-10-20 EP disclosed
US-20090270369-A1 BICYCLOAMINE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-10-29 US disclosed
US-20090270369-A1 BICYCLOAMINE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-10-29 US disclosed
US-20090270369-A1 BICYCLOAMINE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-10-29 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 (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-20100331310-A1 BICYCLOAMINE DERIVATIVES SCN1B, KCNJ2, KCNH2 DRD2 245/4885HTR2A 289/4885HTR1A 257/4885
US-20090270369-A1 BICYCLOAMINE DERIVATIVES SCN1B, KCNJ2, KCNH2 DRD2 245/4885HTR2A 289/4885HTR1A 257/4885

“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.