SCHEMBL20958487

SCHEMBL20958487

O=C(O)N1[C@@H]2CC[C@H]1C[C@H](Oc1ccc3ccccc3n1)C2

nearest known ligand 0.68

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 4/20 0.46
▸ HCRTR2 O43614 3/20 0.44
▸ HTR3E A5X5Y0 2/20 0.42
▸ HTR3B O95264 2/20 0.42
▸ HTR3A P46098 2/20 0.42
▸ HTR3D Q70Z44 2/20 0.42
▸ HTR3C Q8WXA8 2/20 0.42
▸ OPRK1 P41145 2/20 0.42
▸ CHRM2 P08172 1/20 0.39
▸ CHRM4 P08173 1/20 0.39
▸ CHRM5 P08912 1/20 0.39
▸ CHRM1 P11229 1/20 0.39
▸ CHRM3 P20309 1/20 0.39
▸ HCRTR1 O43613 1/20 0.39

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
SCHEMBL20958488 1.00 KCNH2 (0.46) KCNH2HCRTR2HTR3EHTR3BHTR3A
SCHEMBL20958489 1.00 KCNH2 (0.46) KCNH2HCRTR2HTR3EHTR3BHTR3A
SCHEMBL20958393 0.84 HCRTR2 (0.48) KCNH2HCRTR2HTR3EHTR3BHTR3A
SCHEMBL20958394 0.84 HCRTR2 (0.48) KCNH2HCRTR2HTR3EHTR3BHTR3A
SCHEMBL20958391 0.84 HCRTR2 (0.48) KCNH2HCRTR2HTR3EHTR3BHTR3A
SCHEMBL20989499 0.83 GPR119 (0.48) KCNH2HCRTR2HTR3EHTR3BHTR3A
Fumaric Acid SCHEMBL1178177 0.82 HTR3E (0.50) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL1177859 0.81 SLC6A2 (0.55) KCNH2HTR3EHTR3BHTR3AHTR3D
SCHEMBL1177861 0.81 SLC6A2 (0.55) KCNH2HTR3EHTR3BHTR3AHTR3D
SCHEMBL9366067 0.81 SLC6A2 (0.55) KCNH2HTR3EHTR3BHTR3AHTR3D

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10865194-B2 Therapeutically active bicyclic-sulphonamides and pharmaceutical compositions FONDAZIONE ISTITUTO ITALIANO DI TECNOLOGIA (IT) 2020-12-15 — — US disclosed
US-20190135778-A1 THERAPEUTICALLY ACTIVE BICYCLIC-SULPHONAMIDES AND PHARMACEUTICAL COMPOSITIONS FONDAZIONE ISTITUTO ITALIANO DI TECNOLOGIA (IT) 2019-05-09 — — 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-20190135778-A1 THERAPEUTICALLY ACTIVE BICYCLIC-SULPHONAMIDES AND PHARMACEUTICAL COMPOSITIONS NAAA, FAAH, FAAH2 KCNH2 2855/4885HCRTR2 1449/4885HTR3E 1188/4885
US-10865194-B2 Therapeutically active bicyclic-sulphonamides and pharmaceutical compositions NAAA, FAAH2, FAAH KCNH2 2099/4885HCRTR2 841/4885HTR3E 965/4885

“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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