SCHEMBL12076946

SCHEMBL12076946

O=C(O)N1[C@@H]2CC[C@H]1C[C@@H](Oc1cccc(OC(F)F)n1)C2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 5/20 0.47
▸ SLC6A2 P23975 2/20 0.40
▸ SLC6A3 Q01959 1/20 0.40
▸ OPRK1 P41145 3/20 0.39
▸ HTR3E A5X5Y0 2/20 0.39
▸ HTR3B O95264 2/20 0.39
▸ HTR3A P46098 2/20 0.39
▸ HTR3D Q70Z44 2/20 0.39
▸ HTR3C Q8WXA8 2/20 0.39
▸ CHRNA7 P36544 1/20 0.39
▸ CHRM2 P08172 3/20 0.37
▸ CHRM4 P08173 3/20 0.37
▸ CHRM5 P08912 3/20 0.37
▸ CHRM1 P11229 3/20 0.37
▸ CHRM3 P20309 3/20 0.37
▸ LMNA P02545 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ SLC6A4 P31645 1/20 0.36

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
SCHEMBL12076948 1.00 KCNH2 (0.47) KCNH2SLC6A2SLC6A3OPRK1HTR3E
SCHEMBL12093211 0.85 GPR119 (0.49) KCNH2SLC6A2SLC6A3OPRK1CHRM2
SCHEMBL12077120 0.79 KCNH2 (0.49) KCNH2SLC6A2SLC6A3OPRK1HTR3E
SCHEMBL12077122 0.79 KCNH2 (0.49) KCNH2SLC6A2SLC6A3OPRK1HTR3E
SCHEMBL1165321 0.76 NAAA (0.51) KCNH2OPRK1
SCHEMBL1165320 0.76 NAAA (0.51) KCNH2OPRK1
SCHEMBL20958452 0.76 NAAA (0.51) KCNH2OPRK1
SCHEMBL20958454 0.76 NAAA (0.51) KCNH2OPRK1
SCHEMBL20958489 0.76 KCNH2 (0.46) KCNH2OPRK1HTR3EHTR3BHTR3A
SCHEMBL20958487 0.76 KCNH2 (0.46) KCNH2OPRK1HTR3EHTR3BHTR3A

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 336/4885SLC6A2 2458/4885SLC6A3 2198/4885

“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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