SCHEMBL19083788

SCHEMBL19083788

Cc1cnc(OCC(C)C)c(C2CC2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SSTR4 P31391 2/20 0.45
PDK2 Q15119 1/20 0.36
PDK4 Q16654 1/20 0.36
TRPC6 Q9Y210 2/20 0.35
KCNJ5 P48544 1/20 0.33
KCNJ3 P48549 1/20 0.33
SCN9A Q15858 2/20 0.33
SCN5A Q14524 1/20 0.33
ABL1 P00519 1/20 0.32
MEN1 O00255 1/20 0.32
LMNA P02545 1/20 0.32
POLB P06746 1/20 0.32
HTT P42858 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
MCOLN3 Q8TDD5 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
OPRK1 P41145 1/20 0.32
AAK1 Q2M2I8 1/20 0.32

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
SCHEMBL19075625 0.81 SSTR4 (0.35) SSTR4TRPC6AAK1CNR2
SCHEMBL12093551 0.78 SSTR4 (0.43) SSTR4PDK2PDK4
SCHEMBL17248008 0.76 NOS3 (0.41) SSTR4SCN9ASCN5AMEN1LMNA
SCHEMBL19083790 0.76 SSTR4 (0.48) SSTR4CNR2
SCHEMBL15599286 0.73 SCN9A (0.45) SSTR4SCN9ASCN5AAAK1
SCHEMBL17432901 0.73 MEN1 (0.35) SCN9ASCN5AABL1MEN1LMNA
SCHEMBL21748968 0.72 SSTR4 (0.64) SSTR4
SCHEMBL25790652 0.71 PDK2 (0.43) SSTR4PDK2PDK4OPRK1CNR2
SCHEMBL28484048 0.71 ABL1 (0.40) TRPC6SCN9AABL1MEN1KMT2A
SCHEMBL12240432 0.70 PDK2 (0.44) SSTR4PDK2PDK4ABL1HTT

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-20170190662-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2017-07-06 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-20170190662-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF RDX, C1R, MTX1 SSTR4 1035/4885PDK2 4021/4885PDK4 3589/4885

“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.