SCHEMBL23579669

SCHEMBL23579669

CN1CCN(c2nc(NCc3ccc(S(N)(=O)=O)cc3)c3cnn(C)c3n2)CC1

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ HTR2C P28335 7/20 0.53
▸ HRH4 Q9H3N8 7/20 0.50
▸ PDE5A O76074 1/20 0.50
▸ PDE2A O00408 2/20 0.48
▸ HTR3A P46098 2/20 0.48
▸ HRH1 P35367 1/20 0.46
▸ ATAD2 Q6PL18 1/20 0.45
▸ BCDIN3D Q7Z5W3 3/20 0.45

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
SCHEMBL30034965 1.00 HTR2C (0.53) HTR2CHRH4PDE5APDE2AHTR3A
SCHEMBL30033897 0.92 HTR2C (0.53) HTR2CHRH4PDE2AHRH1BCDIN3D
SCHEMBL23579785 0.92 HTR2C (0.53) HTR2CHRH4PDE2AHRH1BCDIN3D
SCHEMBL23598905 0.90 HTR2C (0.54) HTR2CPDE5APDE2ABCDIN3D
SCHEMBL30034770 0.90 HTR2C (0.54) HTR2CPDE5APDE2ABCDIN3D
SCHEMBL13947132 0.86 HTR2C (0.59) HTR2CHRH4PDE5APDE2AHTR3A
SCHEMBL13944729 0.85 HTR2C (0.72) HTR2CHRH4PDE5APDE2A
SCHEMBL13946820 0.84 HTR2C (0.70) HTR2CHRH4PDE5APDE2AHTR3A
SCHEMBL13944362 0.83 HRH4 (0.63) HTR2CHRH4PDE5APDE2AHRH1
SCHEMBL23579698 0.82 PDE2A (0.55) HTR2CPDE2ABCDIN3D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230121698-A1 ECTONUCLEOTIDE PYROPHOSPHATASE/PHOSPHODIESTERASE 1 (ENPP1) MODULATORS AND USES THEREOF Sanford Burnham Prebys Medical Discovery Institute 2023-04-20 — — US disclosed
WO-2021133915-A1 ECTONUCLEOTIDE PYROPHOSPHATASE/PHOSPHODIESTERASE 1 (ENPP1) MODULATORS AND USES THEREOF Sanford Burnham Prebys Medical Discovery Institute (US) 2021-07-01 — — WO disclosed
WO-2021133915-A1 ECTONUCLEOTIDE PYROPHOSPHATASE/PHOSPHODIESTERASE 1 (ENPP1) MODULATORS AND USES THEREOF Sanford Burnham Prebys Medical Discovery Institute (US) 2021-07-01 — — 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 (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-20230121698-A1 ECTONUCLEOTIDE PYROPHOSPHATASE/PHOSPHODIESTERASE 1 (ENPP1) MODULATORS AND USES THEREOF ENPP1, ENPP3, PPA1 HTR2C 4192/4885HRH4 4647/4885PDE5A 45/4885

“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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