SCHEMBL3524510

SCHEMBL3524510

Cc1cccc(F)c1COC1CC2CCC(C1)N2C[C@@H]1C[C@H]1CCO

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 7/20 0.36
▸ OPRD1 P41143 5/20 0.36
▸ KCNH2 Q12809 10/20 0.33
▸ SLC6A2 P23975 1/20 0.33
▸ SCN5A Q14524 6/20 0.33
▸ OPRK1 P41145 3/20 0.32
▸ EPHX2 P34913 2/20 0.32
▸ CHRM2 P08172 1/20 0.32
▸ CHRM1 P11229 1/20 0.32
▸ SLC6A3 Q01959 1/20 0.30

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
SCHEMBL3524509 1.00 OPRM1 (0.36) OPRM1OPRD1KCNH2SLC6A2SCN5A
SCHEMBL12012239 0.92 OPRM1 (0.38) OPRM1OPRD1KCNH2SLC6A2SCN5A
SCHEMBL12012238 0.82 CHRM2 (0.34) OPRM1OPRD1KCNH2SLC6A2SCN5A
SCHEMBL3524229 0.78 KCNH2 (0.33) KCNH2SCN5ACHRM2CHRM1
SCHEMBL3524225 0.78 KCNH2 (0.33) KCNH2SCN5ACHRM2CHRM1
SCHEMBL3524223 0.78 KCNH2 (0.33) KCNH2SCN5ACHRM2CHRM1
SCHEMBL3523921 0.76 KCNH2 (0.58) KCNH2SCN5A
SCHEMBL3523920 0.76 KCNH2 (0.58) KCNH2SCN5A
SCHEMBL3520222 0.72 CHRM2 (0.45) EPHX2CHRM2CHRM1
SCHEMBL3520227 0.72 CHRM2 (0.45) EPHX2CHRM2CHRM1

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
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
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

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 OPRM1 156/4885OPRD1 105/4885KCNH2 3/4885
US-20090270369-A1 BICYCLOAMINE DERIVATIVES SCN1B, KCNJ2, KCNH2 OPRM1 156/4885OPRD1 105/4885KCNH2 3/4885

“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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