SCHEMBL23112216

SCHEMBL23112216

COc1cc2c(cc1OC)C1CCC2N1C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ FFAR2 O15552 6/20 0.40
▸ TRPV1 Q8NER1 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.39
▸ CA1 P00915 3/20 0.38
▸ CA2 P00918 3/20 0.38
▸ CA9 Q16790 3/20 0.38
▸ CA12 O43570 2/20 0.38
▸ CA4 P22748 1/20 0.38
▸ CA6 P23280 1/20 0.38
▸ CA7 P43166 1/20 0.38
▸ TPMT P51580 1/20 0.38
▸ CA14 Q9ULX7 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ NQO2 P16083 1/20 0.38
▸ MTNR1A P48039 1/20 0.38
▸ MTNR1B P49286 1/20 0.38

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
SCHEMBL23112128 0.79 CHRM2 (0.43) KDM4EMTNR1AMTNR1B
SCHEMBL23112240 0.76 SMN1; SMN2 (0.45) SMN1; SMN2TRPV1KDM4ECA1CA2
SCHEMBL433381 0.74 CA12 (0.42) SMN1; SMN2KDM4ECA1CA2CA9
SCHEMBL23611631 0.71 FFAR2 (0.43) FFAR2
SCHEMBL16962887 0.70 CHRNB2 (0.35) FFAR2KDM4ECA1CA2CA9
SCHEMBL16961717 0.70 SLC6A2 (0.33) FFAR2CA1CA2TPMT
SCHEMBL9722208 0.69 NQO2 (0.51) SMN1; SMN2TRPV1KDM4ECA1CA2
SCHEMBL22981185 0.68 SMYD3 (0.34) SMN1; SMN2FFAR2CA1CA2CA9
SCHEMBL23611575 0.65 FFAR2 (0.39) FFAR2
SCHEMBL9620886 0.65 CA1 (0.44) SMN1; SMN2TRPV1CA1CA2CA9

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-20210251991-A1 SUBSTITUTED 2,2'-BIPYRIMIDINYL COMPOUNDS, ANALOGUES THEREOF, AND METHODS USING SAME ARBUTUS BIOPHARMA CORPORATION (CA) 2021-08-19 — — US disclosed
EP-3793550-A2 SUBSTITUTED 2,2'-BIPYRIMIDINYL COMPOUNDS, ANALOGUES THEREOF, AND METHODS USING SAME Arbutus Biopharma Corporation (CA) 2021-03-24 — — EP 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-20210251991-A1 SUBSTITUTED 2,2'-BIPYRIMIDINYL COMPOUNDS, ANALOGUES THEREOF, AND METHODS USING SAME HAVCR2, CDV3, HMBS SMN1; SMN2 3692/4885FFAR2 3595/4885TRPV1 4792/4885

“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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