SCHEMBL29310316

SCHEMBL29310316

COCC1CNCCN1c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.64

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 5/20 0.53
SLC6A4 P31645 5/20 0.53
SLC6A3 Q01959 5/20 0.53
CYP2D6 P10635 3/20 0.53
SIRT6 Q8N6T7 2/20 0.49
ADRB1 P08588 1/20 0.49
MAPT P10636 4/20 0.43
KCNJ1 P48048 1/20 0.41
KCNH2 Q12809 1/20 0.41
HTR1A P08908 1/20 0.38
HTR7 P34969 1/20 0.38

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
SCHEMBL22471283 0.83 ADRB1 (0.56) SLC6A2SLC6A4SLC6A3SIRT6ADRB1
SCHEMBL6606833 0.83 SIRT6 (0.52) SIRT6ADRB1MAPTKCNJ1KCNH2
Hydrochloric Acid SCHEMBL31005744 0.82 ADRB1 (0.55) SLC6A2SLC6A4SLC6A3SIRT6ADRB1
SCHEMBL22546974 0.81 SLC6A2 (0.59) SLC6A2SLC6A4SLC6A3CYP2D6ADRB1
SCHEMBL12006634 0.81 MAPT (0.46) SIRT6MAPT
SCHEMBL791700 0.81 MAPT (0.46) SIRT6MAPT
SCHEMBL12006635 0.81 MAPT (0.46) SIRT6MAPT
SCHEMBL24478523 0.79 SLC6A2 (0.57) SLC6A2SLC6A4SLC6A3CYP2D6ADRB1
SCHEMBL27665380 0.79 SIRT6 (0.54) SIRT6ADRB1MAPTKCNJ1KCNH2
SCHEMBL23524638 0.79 SIRT6 (0.56) SIRT6ADRB1MAPTKCNJ1KCNH2

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-20240228459-A1 WEE1 INHIBITORS AND USES THEREOF BOUNDLESS BIO, INC. 2024-07-11 US disclosed
US-20240228459-A1 WEE1 INHIBITORS AND USES THEREOF BOUNDLESS BIO, INC. 2024-07-11 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-20240228459-A1 WEE1 INHIBITORS AND USES THEREOF WEE1, WEE2, DCLRE1B SLC6A2 4807/4885SLC6A4 4697/4885SLC6A3 4725/4885

“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.