SCHEMBL19539601

SCHEMBL19539601

CN1CCCC1c1ccc(CO)cc1

nearest known ligand 0.64

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CHRNB2 P17787 1/20 0.61
▸ CHRNB4 P30926 1/20 0.61
▸ CHRNA3 P32297 1/20 0.61
▸ CHRNA7 P36544 1/20 0.61
▸ CHRNA4 P43681 1/20 0.61

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
SCHEMBL13096520 0.95 CHRNB2 (0.54) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL19865697 0.84 CHRNB2 (0.62) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL27239001 0.83 CHRNB2 (0.61) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL15888599 0.81 CHRNB2 (0.59) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL3870563 0.80 CHRNB2 (0.57) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL19865655 0.78 CHRNB2 (0.69) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL21399970 0.78 CHRNB2 (0.69) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL13162081 0.78 CHRNB2 (0.69) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
Hydrochloric Acid SCHEMBL11444309 0.78 CHRNB2 (0.54) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL7738292 0.78 CHRNB2 (0.54) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3450433-B1 PURINE DERIVATIVES AS TLR7 INHIBITORS FOR TREATING E.G. SYSTEMIC LUPUS ERYTHEMATOSUS SUMITOMO DAINIPPON PHARMA CO LTD (JP) 2021-08-18 — — EP disclosed
EP-3450433-B1 PURINE DERIVATIVES AS TLR7 INHIBITORS FOR TREATING E.G. SYSTEMIC LUPUS ERYTHEMATOSUS SUMITOMO DAINIPPON PHARMA CO LTD (JP) 2021-08-18 — — EP disclosed
US-10703755-B2 Substituted purine derivative SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2020-07-07 — — US disclosed
US-10703755-B2 Substituted purine derivative SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2020-07-07 — — US disclosed
US-20190169191-A1 SUBSTITUTED PURINE DERIVATIVE SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2019-06-06 — — US disclosed
US-20190169191-A1 SUBSTITUTED PURINE DERIVATIVE SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2019-06-06 — — US disclosed
WO-2017188287-A1 SUBSTITUTED PURINE DERIVATIVE 大日本住友製薬株式会社 2017-11-02 — — WO 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-10703755-B2 Substituted purine derivative TLR7, TLR9, TLR1 CHRNB2 2328/4885CHRNB4 2126/4885CHRNA3 2078/4885
US-20190169191-A1 SUBSTITUTED PURINE DERIVATIVE TLR7, TLR9, TLR1 CHRNB2 2328/4885CHRNB4 2126/4885CHRNA3 2078/4885

“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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