SCHEMBL14052168

SCHEMBL14052168

C[C@]1(c2ccc3c(N)ncnn23)CC[C@@H](COCc2ccccc2)O1

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ TNK2 Q07912 3/20 0.35
▸ TAAR1 Q96RJ0 1/20 0.34
▸ HSPA5 P11021 1/20 0.33
▸ HRH4 Q9H3N8 4/20 0.32
▸ HRH3 Q9Y5N1 4/20 0.32
▸ LMNA P02545 1/20 0.32
▸ BACE1 P56817 2/20 0.31
▸ AXL P30530 1/20 0.31
▸ MERTK Q12866 1/20 0.31

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
SCHEMBL18666854 1.00 TNK2 (0.35) TNK2TAAR1HSPA5HRH4HRH3
SCHEMBL18666910 0.87 TNK2 (0.35) TNK2TAAR1HSPA5HRH4HRH3
SCHEMBL12294892 0.87 TNK2 (0.35) TNK2TAAR1HSPA5HRH4HRH3
SCHEMBL18667233 0.87 TNK2 (0.35) TNK2TAAR1HSPA5HRH4HRH3
SCHEMBL25608469 0.85 MGLL (0.39) TNK2
SCHEMBL4971072 0.85 SMN1; SMN2 (0.33) —
SCHEMBL23822848 0.84 TNK2 (0.33) TNK2TAAR1HSPA5HRH4HRH3
SCHEMBL12295037 0.84 TNK2 (0.35) TNK2TAAR1HSPA5HRH4HRH3
SCHEMBL23822912 0.84 TNK2 (0.35) TNK2TAAR1HSPA5HRH4HRH3
SCHEMBL18666852 0.84 TNK2 (0.35) TNK2TAAR1HSPA5HRH4HRH3

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-20130034521-A1 1'-SUBSTITUTED CARBA-NUCLEOSIDE ANALOGS FOR ANTIVIRAL TREATMENT GILEAD SCIENCES, INC. (US) 2013-02-07 — — US disclosed
US-8318682-B2 1′substituted carba-nucleoside analogs for antiviral treatment GILEAD SCIENCES, INC. (US) 2012-11-27 — — 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-20130034521-A1 1'-SUBSTITUTED CARBA-NUCLEOSIDE ANALOGS FOR ANTIVIRAL TREATMENT PNP, MTAP, SLC29A1 TNK2 1494/4885TAAR1 2498/4885HSPA5 2596/4885

“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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