SCHEMBL26329004

SCHEMBL26329004

Cc1c(CC(C)C)cnn1-c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMO Q99835 4/20 0.55
DRD4 P21917 2/20 0.55
DRD2 P14416 1/20 0.55
DRD3 P35462 1/20 0.55
HCAR2 Q8TDS4 4/20 0.49
CYP2C8 P10632 2/20 0.49
CYP2C9 P11712 2/20 0.49
MAPK1 P28482 1/20 0.47
HPGD P15428 3/20 0.43
NPC1 O15118 4/20 0.42
RAB9A P51151 4/20 0.42
MAPT P10636 1/20 0.42
P2RX7 Q99572 1/20 0.42
GRM4 Q14833 1/20 0.41
SLC9A1 P19634 1/20 0.41
SLC9A2 Q9UBY0 1/20 0.41
PTGS2 P35354 2/20 0.40
ADRA1A P35348 1/20 0.40
PKM P14618 1/20 0.40
NFKB1 P19838 1/20 0.39

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
SCHEMBL23399985 0.82 GABRA1 (0.42) SMODRD4DRD2DRD3HCAR2
SCHEMBL12806554 0.81 SMO (0.59) SMODRD4DRD2DRD3HCAR2
SCHEMBL4920298 0.79 SMO (0.57) SMODRD4DRD2DRD3HCAR2
SCHEMBL5904813 0.79 SMO (0.57) SMODRD4DRD2DRD3HCAR2
SCHEMBL1568047 0.79 SMO (0.57) SMODRD4DRD2DRD3HCAR2
SCHEMBL26331616 0.78 SMN1; SMN2 (0.51) SMODRD4DRD2DRD3CYP2C9
SCHEMBL12775820 0.77 SMO (0.55) SMODRD4DRD2DRD3HCAR2
SCHEMBL19538919 0.77 SMO (0.55) SMODRD4DRD2DRD3HCAR2
SCHEMBL1195016 0.75 MAPK1 (0.58) SMODRD4DRD2DRD3HCAR2
SCHEMBL1566895 0.75 ALDH1A1 (0.49) SMODRD4DRD2DRD3HCAR2

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 SMO 2173/4885DRD4 1536/4885DRD2 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.