SCHEMBL26619954

SCHEMBL26619954

CCn1c([C@H]2CCCN(C(=O)O)C2)nc2cnc3cc(Br)ccc3c21

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PREP P48147 1/20 0.37
PROKR1 Q8TCW9 9/20 0.36
HRH1 P35367 2/20 0.35
KCNH2 Q12809 2/20 0.35
HPGDS O60760 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP8B1 Q9UNU6 1/20 0.34
PTGDR Q13258 1/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.34
BRD4 O60885 1/20 0.34
CACNA2D1 P54289 2/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
CHRM1 P11229 1/20 0.33

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
SCHEMBL26619957 1.00 PREP (0.37) PREPPROKR1HRH1KCNH2HPGDS
SCHEMBL26713454 0.88 HPGDS (0.43) HPGDSBRD4
SCHEMBL30074854 0.88 HPGDS (0.43) HPGDSBRD4
SCHEMBL29036539 0.88 HPGDS (0.43) HPGDSBRD4
SCHEMBL26620634 0.85 PROKR1 (0.43) PREPPROKR1HPGDSCYP8B1PTGDR
SCHEMBL26620636 0.85 PROKR1 (0.43) PREPPROKR1HPGDSCYP8B1PTGDR
SCHEMBL26619906 0.84 TLR7 (0.39) PROKR1CACNA2D1KMT2A
SCHEMBL26619911 0.84 TLR7 (0.39) PROKR1CACNA2D1KMT2A
SCHEMBL30074856 0.75 CYP1A2 (0.39) HPGDSCYP2D6MEN1KMT2A
SCHEMBL26619757 0.75 CYP1A2 (0.39) HPGDSCYP2D6MEN1KMT2A

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-20230348458-A1 NLRP3 MODULATORS INNATE TUMOR IMMUNITY, INC. 2023-11-02 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-20230348458-A1 NLRP3 MODULATORS NLRP3, NLRP1, PYCARD PREP 1969/4885PROKR1 2933/4885HRH1 2949/4885

“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.