SCHEMBL21480118

SCHEMBL21480118

OC[C@]12CCCCC1CNC2

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 9/20 0.49
SLC6A4 P31645 9/20 0.49
SLC6A3 Q01959 9/20 0.49
CYP1A1 P04798 6/20 0.36
CYP1A2 P05177 6/20 0.36
CYP2D6 P10635 6/20 0.36
CYP3A4 P08684 5/20 0.36
KCNH2 Q12809 4/20 0.36
CYP2C19 P33261 3/20 0.33
CYP2C9 P11712 2/20 0.33
IRAK4 Q9NWZ3 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
SCHEMBL21460159 1.00 SLC6A2 (0.49) SLC6A2SLC6A4SLC6A3CYP1A1CYP1A2
SCHEMBL19779541 1.00 SLC6A2 (0.49) SLC6A2SLC6A4SLC6A3CYP1A1CYP1A2
SCHEMBL14367734 0.94 SLC6A2 (0.43) SLC6A2SLC6A4SLC6A3CYP1A1CYP1A2
SCHEMBL22402148 0.81 SLC6A2 (0.49) SLC6A2SLC6A4SLC6A3CYP1A1CYP1A2
SCHEMBL5473307 0.77 TSHR (0.35)
SCHEMBL7735127 0.77 TSHR (0.35)
SCHEMBL14012881 0.77 SLC6A2 (0.43) SLC6A2SLC6A4SLC6A3CYP1A1CYP1A2
SCHEMBL27483884 0.74 TSHR (0.34) CYP1A2CYP2D6CYP3A4KCNH2CYP2C19
SCHEMBL11863846 0.74 TSHR (0.34) CYP1A2CYP2D6CYP3A4KCNH2CYP2C19
SCHEMBL6784146 0.74 SLC6A2 (0.43) SLC6A2SLC6A4SLC6A3CYP1A1CYP1A2

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-10906888-B2 Pyrimidine carboxamides as inhibitors of Vanin-1 enzyme PFIZER INC. (US) 2021-02-02 US disclosed
US-20190315715-A1 NOVEL PYRIMIDINE CARBOXAMIDES AS INHIBITORS OF VANIN-1 ENZYME PFIZER INC. (US) 2019-10-17 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 (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-20190315715-A1 NOVEL PYRIMIDINE CARBOXAMIDES AS INHIBITORS OF VANIN-1 ENZYME VNN1, DPYD, MVD SLC6A2 2383/4885SLC6A4 1829/4885SLC6A3 2272/4885
US-10906888-B2 Pyrimidine carboxamides as inhibitors of Vanin-1 enzyme VNN1, DPYD, MVD SLC6A2 2033/4885SLC6A4 1616/4885SLC6A3 2018/4885

“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.