SCHEMBL16875754

SCHEMBL16875754

C[CH]CN1CCC(OC(N)=O)C(F)C1

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.32
ATM Q13315 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C19 P33261 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
SCHEMBL4757714 0.79 CYP2D6 (0.35) SMN1; SMN2CYP2D6CYP2C19
SCHEMBL4316264 0.74 SMN1; SMN2 (0.33) SMN1; SMN2
SCHEMBL29094108 0.71 TP53 (0.41) SMN1; SMN2ATMCYP2D6
SCHEMBL2494718 0.67 PIK3CD (0.36) SMN1; SMN2ATMCYP2D6CYP2C19
SCHEMBL2488711 0.67 PIK3CD (0.36) SMN1; SMN2ATMCYP2D6CYP2C19
SCHEMBL28972346 0.66 ATM (0.30) ATM
SCHEMBL14931661 0.64 CARM1 (0.31)
SCHEMBL25621670 0.64 CYP2D6 (0.42) CYP2D6CYP2C19
SCHEMBL25621672 0.64 CYP2D6 (0.42) CYP2D6CYP2C19
SCHEMBL25621678 0.64 CYP2D6 (0.42) CYP2D6CYP2C19

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-9593128-B2 Tetrazole-substituted arylamides as P2X3 and P2X2/3 antagonists HOFFMANN-LA ROCHE INC. (US) 2017-03-14 US disclosed
US-20150191487-A1 TETRAZOLE-SUBSTITUTED ARYLAMIDES AS P2X3 AND P2X2/3 ANTAGONISTS GENENTECH, INC. (US) 2015-07-09 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-20150191487-A1 TETRAZOLE-SUBSTITUTED ARYLAMIDES AS P2X3 AND P2X2/3 ANTAGONISTS P2RX3, P2RX2, P2RX5 SMN1; SMN2 2345/4885ATM 3488/4885CYP2D6 1512/4885

“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.