SCHEMBL21064696

SCHEMBL21064696

CCO[C@@H](C)c1cccnc1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CFTR P13569 1/20 0.46
SLC6A2 P23975 1/20 0.46
SLC6A4 P31645 1/20 0.46
SLC6A3 Q01959 1/20 0.46
GOPC Q9HD26 1/20 0.46
PRMT5 O14744 1/20 0.45
WDR77 Q9BQA1 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
LMNA P02545 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
KDM4E B2RXH2 1/20 0.45
CYP19A1 P11511 3/20 0.43
CYP17A1 P05093 2/20 0.43
GAA P10253 1/20 0.40

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
SCHEMBL20012923 1.00 CFTR (0.46) CFTRSLC6A2SLC6A4SLC6A3GOPC
SCHEMBL22824153 1.00 CFTR (0.46) CFTRSLC6A2SLC6A4SLC6A3GOPC
SCHEMBL6205340 0.83 SLC6A2 (0.47) CFTRSLC6A2SLC6A4SLC6A3GOPC
SCHEMBL2608570 0.80 SMN1; SMN2 (0.51) CFTRSLC6A2SLC6A4SLC6A3GOPC
SCHEMBL18513564 0.79 CFTR (0.55) CFTRSLC6A2SLC6A4SLC6A3GOPC
SCHEMBL1753695 0.79 CFTR (0.55) CFTRSLC6A2SLC6A4SLC6A3GOPC
SCHEMBL9906896 0.79 CFTR (0.55) CFTRSLC6A2SLC6A4SLC6A3GOPC
SCHEMBL22454258 0.78 TRPV1 (0.42) PRMT5WDR77SMN1; SMN2LMNAL3MBTL1
SCHEMBL7707812 0.77 SMN1; SMN2 (0.42) CFTRSLC6A2SLC6A4SLC6A3GOPC
SCHEMBL18513674 0.77 CFTR (0.48) CFTRSLC6A2SLC6A4SLC6A3GOPC

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10308614-B2 Therapeutic compounds and uses thereof GENENTECH, INC. (US) 2019-06-04 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-10308614-B2 Therapeutic compounds and uses thereof SMARCC1, SMARCC2, SMARCA4 CFTR 47/4885SLC6A2 3171/4885SLC6A4 3294/4885

“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.