SCHEMBL23916746

SCHEMBL23916746

CC(C)(C)OCCN1CCC(CC(C)(C)OCC(=O)N2CCCC2)C1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.40
CACNA1I Q9P0X4 1/20 0.40
SLC6A1 P30531 4/20 0.32
SLC6A11 P48066 4/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
TP53 P04637 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
SLC6A12 P48065 1/20 0.31
SLC6A13 Q9NSD5 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C19 P33261 1/20 0.31
ALDH1A1 P00352 3/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
MAPT P10636 1/20 0.31
LTA4H P09960 1/20 0.30
BIRC2 Q13490 1/20 0.30
NR1H2 P55055 1/20 0.30

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
SCHEMBL19021774 0.82 KCNH2 (0.42) KCNH2CACNA1ISLC6A1SLC6A11MEN1
SCHEMBL19958997 0.77 KCNH2 (0.42) KCNH2CACNA1ISLC6A1CYP2D6CYP2C19
SCHEMBL21784328 0.76 KCNH2 (0.40) KCNH2CACNA1IALDH1A1SMN1; SMN2
SCHEMBL29314459 0.72 DRD3 (0.40) KCNH2CACNA1IMEN1KMT2ATP53
SCHEMBL23917024 0.72 ALDH1A1 (0.41) MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL12389242 0.72 ATM (0.45) MEN1KMT2AALDH1A1SMN1; SMN2MAPT
SCHEMBL19958982 0.71 SLC6A1 (0.36) KCNH2CACNA1ISLC6A1SLC6A11MEN1
SCHEMBL25053656 0.71 KCNH2 (0.42) KCNH2CACNA1ISLC6A1CYP2D6CYP2C19
SCHEMBL14440883 0.70 HPGD (0.47) MEN1KMT2AALDH1A1SMN1; SMN2MAPT
SCHEMBL24089450 0.70 KCNH2 (0.39) KCNH2CACNA1IALDH1A1SMN1; SMN2

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-20210317127-A1 HETEROCYCLIC SPIRO COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF CANCER ARAXES PHARMA LLC (US) 2021-10-14 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-20210317127-A1 HETEROCYCLIC SPIRO COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF CANCER KRAS, NRAS, HRAS KCNH2 3352/4885CACNA1I 3719/4885SLC6A1 4463/4885

“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.