SCHEMBL18372272

SCHEMBL18372272

CB(O)N1CCN(c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)C[C@@H]1C

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ LPL P06858 12/20 0.35
▸ LIPG Q9Y5X9 12/20 0.35
▸ F11 P03951 2/20 0.33
▸ CA1 P00915 2/20 0.32
▸ CA2 P00918 2/20 0.32
▸ CA9 Q16790 2/20 0.32
▸ CA12 O43570 1/20 0.32
▸ CA3 P07451 1/20 0.32
▸ CA4 P22748 1/20 0.32
▸ CA6 P23280 1/20 0.32
▸ CA5A P35218 1/20 0.32
▸ CA7 P43166 1/20 0.32
▸ CA14 Q9ULX7 1/20 0.32
▸ CA5B Q9Y2D0 1/20 0.32
▸ P4HB P07237 1/20 0.30
▸ F2 P00734 1/20 0.30
▸ PRSS1 P07477 1/20 0.30
▸ PRSS2 P07478 1/20 0.30
▸ PRSS3 P35030 1/20 0.30

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
SCHEMBL31276858 0.81 LPL (0.40) LPLLIPGCA1CA2CA9
SCHEMBL18372243 0.79 LPL (0.41) LPLLIPGF11CA1CA2
SCHEMBL16795105 0.78 GRM1 (0.39) LPLLIPGF11P4HBF2
SCHEMBL24680754 0.76 LPL (0.42) LPLLIPGF11CA1CA2
SCHEMBL18372273 0.76 AKR1C3 (0.37) —
SCHEMBL24680753 0.76 LPL (0.42) LPLLIPGF11CA1CA2
SCHEMBL14790467 0.75 LPL (0.41) LPLLIPGF11CA1CA2
SCHEMBL15572024 0.74 LPL (0.41) LPLLIPGF11CA1CA2
SCHEMBL15571646 0.74 LPL (0.41) LPLLIPGF11CA1CA2
SCHEMBL16922314 0.74 LPL (0.41) LPLLIPGF11CA1CA2

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-9643967-B2 Pyrrolo[3,2-c]pyridine derivatives as TLR inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-05-09 — — US disclosed
US-20170008885-A1 PYRROLO[3,2-C]PYRIDINE DERIVATIVES AS TLR INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-01-12 — — 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-20170008885-A1 PYRROLO[3,2-C]PYRIDINE DERIVATIVES AS TLR INHIBITORS TLR9, TLR7, TLR1 LPL 4414/4885LIPG 4816/4885F11 2424/4885

“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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