SCHEMBL21591559

SCHEMBL21591559

Clc1cc(CNCCCc2cccnc2)ccn1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ NOS1 P29475 3/20 0.57
▸ CHRM2 P08172 1/20 0.55
▸ CYP1A2 P05177 1/20 0.47
▸ CYP2D6 P10635 1/20 0.47
▸ SCN8A Q9UQD0 1/20 0.47
▸ HTR5A P47898 1/20 0.46
▸ CYP3A4 P08684 2/20 0.45
▸ NOS3 P29474 1/20 0.45
▸ NOS2 P35228 1/20 0.45
▸ CYP2A6 P11509 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ GSK3A P49840 1/20 0.43
▸ GSK3B P49841 1/20 0.43
▸ HRH1 P35367 1/20 0.42

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
SCHEMBL21591441 0.82 CHRM2 (0.66) NOS1CHRM2CYP1A2CYP2D6SCN8A
SCHEMBL21591437 0.81 NOS1 (0.54) NOS1CHRM2CYP1A2CYP2D6SCN8A
SCHEMBL12080831 0.81 CHRM2 (0.54) NOS1CHRM2CYP1A2CYP2D6SCN8A
SCHEMBL4068320 0.80 CHRM2 (0.68) NOS1CHRM2CYP1A2CYP2D6SCN8A
SCHEMBL16606319 0.78 CHRM2 (0.68) NOS1CHRM2CYP1A2CYP2D6CYP3A4
SCHEMBL4072845 0.77 CHRM2 (0.73) NOS1CHRM2CYP1A2CYP2D6SCN8A
SCHEMBL3516997 0.77 CHRM2 (0.52) NOS1CHRM2CYP1A2CYP2D6SCN8A
SCHEMBL10483879 0.76 LOX (0.56) CHRM2GSK3AGSK3B
SCHEMBL6157520 0.76 CHRM2 (0.71) NOS1CHRM2CYP1A2CYP2D6TDP1
SCHEMBL10483974 0.75 LOX (0.59) CHRM2GSK3AGSK3B

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12162863-B2 Modulators of stimulator of interferon genes (STING) Ryvu Therapeutics S.A. (PL) 2024-12-10 — — US disclosed
US-20220402898-A1 MODULATORS OF STIMULATOR OF INTERFERON GENES (STING) Ryvu Therapeutics S.A. (PL) 2022-12-22 — — US disclosed
EP-3807264-A1 MODULATORS OF STIMULATOR OF INTERFERON GENES (STING) Ryvu Therapeutics S.A. (PL) 2021-04-21 — — EP disclosed
WO-2019238786-A1 MODULATORS OF STIMULATOR OF INTERFERON GENES (STING) Ryvu Therapeutics S.A. (PL) 2019-12-19 — — WO 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 (2 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-12162863-B2 Modulators of stimulator of interferon genes (STING) STING1, IRF3, CGAS NOS1 13/4885CHRM2 1724/4885CYP1A2 718/4885
US-20220402898-A1 MODULATORS OF STIMULATOR OF INTERFERON GENES (STING) STING1, IRF3, CGAS NOS1 13/4885CHRM2 1724/4885CYP1A2 718/4885

“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.

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