SCHEMBL19355447

SCHEMBL19355447

CCC(C)c1cnc(C)cc1OC

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 9/20 0.39
SLC6A4 P31645 9/20 0.39
SLC6A3 Q01959 7/20 0.39
POLB P06746 2/20 0.35
GAA P10253 1/20 0.35
GFER P55789 1/20 0.35
P2RX3 P56373 1/20 0.35
P2RX2 Q9UBL9 1/20 0.35
CYP3A4 P08684 1/20 0.34
LPAR1 Q92633 1/20 0.34
KDM4E B2RXH2 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
CRHR1 P34998 1/20 0.33

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
SCHEMBL18752369 0.81 POLB (0.47) SLC6A2SLC6A4SLC6A3POLBGAA
SCHEMBL21725470 0.77 UHRF1 (0.43) SLC6A2SLC6A4SLC6A3CRHR1
SCHEMBL23667315 0.76 MAP4K1 (0.37) CRHR1
SCHEMBL20676684 0.76 KDM4E (0.46) SLC6A2SLC6A4SLC6A3GAAP2RX3
SCHEMBL19121635 0.74 GAA (0.44) POLBGAAGFERP2RX3P2RX2
SCHEMBL22448807 0.74 P2RX3 (0.40) POLBGAAGFERP2RX3P2RX2
SCHEMBL19308587 0.73 GAA (0.47) POLBGAAGFERP2RX3P2RX2
SCHEMBL2632721 0.73 ACHE (0.50) POLBCYP3A4LPAR1KDM4ETDP1
SCHEMBL18929225 0.73 NOS3 (0.39) SLC6A2SLC6A4SLC6A3CRHR1
SCHEMBL1054720 0.72 ALDH1A1 (0.46) SLC6A2SLC6A4SLC6A3CYP3A4KDM4E

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-20170258789-A1 DNA-PK INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2017-09-14 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-20170258789-A1 DNA-PK INHIBITORS POLK, DTYMK, DCK SLC6A2 3423/4885SLC6A4 3073/4885SLC6A3 3982/4885

“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.