SCHEMBL12076887

SCHEMBL12076887

CCc1ccnc(OC2CC3CCC(C2)N3C(=O)O)c1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 6/20 0.51
▸ OPRK1 P41145 4/20 0.51
▸ HCRTR1 O43613 3/20 0.46
▸ HCRTR2 O43614 3/20 0.46
▸ LOX P28300 1/20 0.42
▸ LOXL2 Q9Y4K0 1/20 0.42
▸ GPR119 Q8TDV5 2/20 0.39
▸ HTR3E A5X5Y0 3/20 0.38
▸ HTR3B O95264 3/20 0.38
▸ HTR3A P46098 3/20 0.38
▸ HTR3D Q70Z44 3/20 0.38
▸ HTR3C Q8WXA8 3/20 0.38
▸ SMYD3 Q9H7B4 1/20 0.37
▸ OPRM1 P35372 1/20 0.37

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
SCHEMBL12076886 1.00 KCNH2 (0.51) KCNH2OPRK1HCRTR1HCRTR2LOX
SCHEMBL12077152 0.88 KCNH2 (0.49) KCNH2OPRK1HCRTR1HCRTR2LOX
SCHEMBL12077151 0.88 KCNH2 (0.49) KCNH2OPRK1HCRTR1HCRTR2LOX
SCHEMBL12077027 0.87 KCNH2 (0.50) KCNH2OPRK1HCRTR1HCRTR2LOX
SCHEMBL12077026 0.87 KCNH2 (0.50) KCNH2OPRK1HCRTR1HCRTR2LOX
SCHEMBL12094630 0.85 GPR119 (0.49) KCNH2OPRK1HCRTR1HCRTR2LOX
SCHEMBL12076981 0.81 KCNH2 (0.51) KCNH2OPRK1HCRTR1HCRTR2GPR119
SCHEMBL12076980 0.81 KCNH2 (0.51) KCNH2OPRK1HCRTR1HCRTR2GPR119
SCHEMBL12077501 0.81 OPRK1 (0.46) KCNH2OPRK1GPR119OPRM1
SCHEMBL12077499 0.81 OPRK1 (0.46) KCNH2OPRK1GPR119OPRM1

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-2500345-B1 8-AZABICYCLO[3.2.1]OCTANE-8-CARBOXAMIDE DERIVATIVE SUMITOMO DAINIPPON PHARMA CO LTD (JP) 2015-01-28 — — EP disclosed
US-8933229-B2 8-azabicyclo[3.2.1]octane-8-carboxamide derivative SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2015-01-13 — — US disclosed
EP-2500345-A1 8-AZABICYCLO[3.2.1]OCTANE-8-CARBOXAMIDE DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2012-09-19 — — EP disclosed
US-20120225876-A1 8-AZABICYCLO[3.2.1]OCTANE-8-CARBOXAMIDE DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2012-09-06 — — 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 (1 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-20120225876-A1 8-AZABICYCLO[3.2.1]OCTANE-8-CARBOXAMIDE DERIVATIVE HDAC10, HDAC11, HDAC1 KCNH2 336/4885OPRK1 495/4885HCRTR1 883/4885

“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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