SCHEMBL26328827

SCHEMBL26328827

Cc1c(CC(=O)OCC2(C)COC2)cnn1-c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.42
SMO Q99835 2/20 0.42
DRD2 P14416 1/20 0.42
DRD4 P21917 1/20 0.42
DRD3 P35462 1/20 0.42
MAPK1 P28482 1/20 0.41
ALDH1A1 P00352 2/20 0.39
HPGD P15428 2/20 0.39
CYP2C8 P10632 2/20 0.39
CYP2C9 P11712 2/20 0.39
HCAR2 Q8TDS4 2/20 0.39
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
PKM P14618 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
MAPT P10636 1/20 0.38
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
PFKFB3 Q16875 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
SCHEMBL25439943 0.85 MAPT (0.45) P2RX7ALDH1A1HPGDSMN1; SMN2MAPT
SCHEMBL5326801 0.81 ALDH1A1 (0.53) P2RX7SMODRD2DRD4DRD3
SCHEMBL31584709 0.77 P2RX7 (0.54) P2RX7SMODRD2DRD4DRD3
SCHEMBL1195016 0.74 MAPK1 (0.58) P2RX7SMODRD2DRD4DRD3
SCHEMBL6712732 0.73 HCRTR2 (0.40) ALDH1A1NPC1RAB9APKMMAPT
SCHEMBL31584574 0.72 P2RX7 (0.56) P2RX7SMODRD2DRD4DRD3
SCHEMBL5717585 0.72 MAPK1 (0.55) P2RX7SMODRD2DRD4DRD3
SCHEMBL12806554 0.68 SMO (0.59) P2RX7SMODRD2DRD4DRD3
SCHEMBL1568047 0.67 SMO (0.57) P2RX7SMODRD2DRD4DRD3
SCHEMBL5375326 0.66 LMNA (0.49) MAPK1ALDH1A1NPC1RAB9A

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-11767302-B2 Reagents and methods for tetrazine synthesis UNIVERSITY OF DELAWARE (US) 2023-09-26 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-11767302-B2 Reagents and methods for tetrazine synthesis TST, CYP4F8, CYP4Z1 P2RX7 3603/4885SMO 2173/4885DRD2 3867/4885

“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.