SCHEMBL20008995

SCHEMBL20008995

CC(C)N1CCN(C(=O)C(C)(C)O)[C@@H](C)C1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.37
CYP2D6 P10635 1/20 0.37
KCNH2 Q12809 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
SLC6A9 P48067 3/20 0.33
MAPT P10636 1/20 0.32
TSHR P16473 1/20 0.32
PDK1 Q15118 2/20 0.31
PDK2 Q15119 2/20 0.31
PDK3 Q15120 2/20 0.31
PDK4 Q16654 2/20 0.31
PRKCB P05771 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
SCHEMBL20009058 1.00 HRH3 (0.37) HRH3CYP2D6KCNH2SMN1; SMN2SLC6A9
SCHEMBL20009021 1.00 HRH3 (0.37) HRH3CYP2D6KCNH2SMN1; SMN2SLC6A9
SCHEMBL20008949 0.88 HRH3 (0.38) HRH3CYP2D6KCNH2SMN1; SMN2SLC6A9
SCHEMBL25540028 0.85 SMN1; SMN2 (0.39) HRH3CYP2D6KCNH2SMN1; SMN2SLC6A9
SCHEMBL22255419 0.80 SMN1; SMN2 (0.38) HRH3CYP2D6KCNH2SMN1; SMN2SLC6A9
SCHEMBL20008992 0.79 SMN1; SMN2 (0.40) HRH3CYP2D6KCNH2SMN1; SMN2SLC6A9
SCHEMBL27204244 0.79 SMN1; SMN2 (0.40) HRH3CYP2D6KCNH2SMN1; SMN2SLC6A9
SCHEMBL20009022 0.79 SMN1; SMN2 (0.40) HRH3CYP2D6KCNH2SMN1; SMN2SLC6A9
SCHEMBL27157659 0.79 SMN1; SMN2 (0.40) HRH3CYP2D6KCNH2SMN1; SMN2SLC6A9
SCHEMBL16869402 0.79 SMN1; SMN2 (0.40) HRH3CYP2D6KCNH2SMN1; SMN2SLC6A9

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-20180086720-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2018-03-29 US disclosed
US-20180086720-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2018-03-29 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-20180086720-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF SMARCC1, SMARCC2, SMARCA4 HRH3 203/4885CYP2D6 4116/4885KCNH2 3885/4885

“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.