SCHEMBL3521182

SCHEMBL3521182

Cc1cccc(F)c1COC1CC2CCC(C1)N2CC(O)Cn1nc(C)n(C(C)C)c1=O

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 6/20 0.54
▸ SCN5A Q14524 6/20 0.54
▸ CHRM2 P08172 5/20 0.37
▸ CHRM1 P11229 5/20 0.37
▸ DHODH Q02127 5/20 0.33
▸ OPRM1 P35372 1/20 0.32
▸ OPRD1 P41143 1/20 0.32
▸ HTR4 Q13639 2/20 0.32
▸ CHRM3 P20309 2/20 0.32

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
SCHEMBL3520192 0.86 KCNH2 (0.49) KCNH2SCN5ACHRM2CHRM1DHODH
SCHEMBL3520640 0.85 KCNH2 (0.51) KCNH2SCN5ACHRM2CHRM1DHODH
SCHEMBL3519230 0.82 KCNH2 (0.51) KCNH2SCN5ACHRM2CHRM1DHODH
SCHEMBL3524215 0.82 KCNH2 (0.50) KCNH2SCN5ACHRM2CHRM1OPRM1
SCHEMBL12012271 0.78 KCNH2 (0.71) KCNH2SCN5ACHRM2CHRM1CHRM3
SCHEMBL3519712 0.76 KCNH2 (0.72) KCNH2SCN5ACHRM2CHRM1DHODH
SCHEMBL3523403 0.76 KCNH2 (0.68) KCNH2SCN5ACHRM2CHRM1
SCHEMBL3522672 0.76 KCNH2 (0.59) KCNH2SCN5ACHRM2CHRM1OPRM1
SCHEMBL12012321 0.75 KCNH2 (0.57) KCNH2SCN5ACHRM2CHRM1DHODH
SCHEMBL3517331 0.74 KCNH2 (0.52) KCNH2SCN5ACHRM2CHRM1CHRM3

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-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
WO-2009101917-A1 BICYCLOAMINE DERIVATIVE EISAI R & D MANAGEMENT CO., LTD. (JP) 2009-08-20 — — 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 (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 KCNH2 3/4885SCN5A 11/4885CHRM2 149/4885
US-20090270369-A1 BICYCLOAMINE DERIVATIVES SCN1B, KCNJ2, KCNH2 KCNH2 3/4885SCN5A 11/4885CHRM2 149/4885

“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.

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