SCHEMBL3519712

SCHEMBL3519712

Cc1cccc(C)c1COC1CC2CCC(C1)N2CC(O)Cn1nc2n(c1=O)CCC2

nearest known ligand 0.72

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 6/20 0.72
▸ SCN5A Q14524 6/20 0.72
▸ CHRM2 P08172 4/20 0.36
▸ CHRM1 P11229 4/20 0.36
▸ CTSS P25774 1/20 0.32
▸ HTR4 Q13639 1/20 0.32
▸ DHODH Q02127 1/20 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
SCHEMBL12012321 0.88 KCNH2 (0.57) KCNH2SCN5ACHRM2CHRM1DHODH
SCHEMBL12012328 0.79 KCNH2 (0.72) KCNH2SCN5A
SCHEMBL3792186 0.79 KCNH2 (0.64) KCNH2SCN5ACHRM2CHRM1
SCHEMBL3523921 0.79 KCNH2 (0.58) KCNH2SCN5ADHODH
SCHEMBL3523920 0.79 KCNH2 (0.58) KCNH2SCN5ADHODH
SCHEMBL3518801 0.78 KCNH2 (0.64) KCNH2SCN5ACHRM2CHRM1HTR4
Oxalic Acid SCHEMBL3523930 0.78 KCNH2 (0.67) KCNH2SCN5A
SCHEMBL12013055 0.77 KCNH2 (0.62) KCNH2SCN5ACHRM2CHRM1HTR4
SCHEMBL3521182 0.76 KCNH2 (0.54) KCNH2SCN5ACHRM2CHRM1HTR4
SCHEMBL3518313 0.74 KCNH2 (0.58) KCNH2SCN5ACHRM2CHRM1CTSS

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 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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