SCHEMBL22822806

SCHEMBL22822806

CN[C@H]1C[C@H](n2cc(C)c3ccc(N4CCN(c5cccc(S(C)(=O)=O)c5)CC4)nc32)C1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ NR1H2 P55055 15/20 0.42
▸ NR1H3 Q13133 15/20 0.42
▸ DRD2 P14416 2/20 0.41
▸ MLYCD O95822 1/20 0.37
▸ JAK2 O60674 1/20 0.36
▸ JAK3 P52333 1/20 0.36
▸ PTK2 Q05397 1/20 0.36
▸ AURKA O14965 1/20 0.36
▸ CDK4 P11802 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
SCHEMBL21274066 0.89 PIK3CD (0.40) NR1H2NR1H3DRD2MLYCDJAK2
SCHEMBL21274063 0.89 PIK3CD (0.40) NR1H2NR1H3DRD2MLYCDJAK2
SCHEMBL21274365 0.84 DRD2 (0.43) NR1H2NR1H3DRD2MLYCDJAK2
SCHEMBL21274364 0.84 DRD2 (0.43) NR1H2NR1H3DRD2MLYCDJAK2
SCHEMBL21274383 0.79 GPR119 (0.40) MLYCDJAK2JAK3PTK2
SCHEMBL21274380 0.79 GPR119 (0.40) MLYCDJAK2JAK3PTK2
SCHEMBL21268721 0.79 GPR119 (0.39) MLYCDJAK2JAK3PTK2
SCHEMBL21268723 0.79 GPR119 (0.39) MLYCDJAK2JAK3PTK2
SCHEMBL21274333 0.77 GPR119 (0.44) —
SCHEMBL21274332 0.77 GPR119 (0.44) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200399268-A1 Pharmaceutical 6,5 Heterobicyclic Ring Derivatives EVOTEC (UK) LTD (GB) 2020-12-24 — — 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-20200399268-A1 Pharmaceutical 6,5 Heterobicyclic Ring Derivatives STING1, IRF3, NFATC1 NR1H2 245/4885NR1H3 379/4885DRD2 4651/4885

“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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