SCHEMBL21755112

SCHEMBL21755112

CCCCCCC(C)c1cccnc1N

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADA P00813 7/20 0.42
TLR8 Q9NR97 3/20 0.38
NOS3 P29474 1/20 0.38
NOS1 P29475 1/20 0.38
NOS2 P35228 1/20 0.38
FAAH O00519 1/20 0.36
PDE2A O00408 2/20 0.35
CYP3A4 P08684 2/20 0.35
PDE4A P27815 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP1A2 P05177 1/20 0.35
ALOX15 P16050 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HSD17B10 Q99714 1/20 0.35
TSHR P16473 1/20 0.35
HIF1A Q16665 1/20 0.35

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
SCHEMBL30541526 0.98 ADA (0.40) ADATLR8NOS3NOS1NOS2
SCHEMBL27834249 0.98 ADA (0.40) ADATLR8NOS3NOS1NOS2
SCHEMBL19779990 0.94 NOS2 (0.40) ADATLR8NOS3NOS1NOS2
SCHEMBL23492953 0.87 NOS2 (0.42) ADATLR8NOS3NOS1NOS2
SCHEMBL21883583 0.86 ADA (0.40) ADATLR8NOS3NOS1NOS2
SCHEMBL20621502 0.86 ADA (0.40) ADATLR8NOS3NOS1NOS2
SCHEMBL19779582 0.84 ADA (0.40) ADATLR8NOS3NOS1NOS2
SCHEMBL21142402 0.83 ADA (0.39) ADATLR8NOS3NOS1NOS2
SCHEMBL29814520 0.83 ADA (0.39) ADATLR8NOS3NOS1NOS2
SCHEMBL23082844 0.83 FAAH (0.36) ADAFAAHKDM4EALOX15SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10597377-B2 Somatostatin modulators and uses thereof Crinetics Pharmaceuticals, Inc. (US) 2020-03-24 US disclosed
US-10568889-B2 Prostaglandin receptor EP2 antagonists, derivatives, compositions, and uses related thereto EMORY UNIVERSITY (US) 2020-02-25 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 (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-10597377-B2 Somatostatin modulators and uses thereof SSTR5, SSTR2, SSTR4 ADA 2092/4885TLR8 2130/4885NOS3 887/4885
US-10568889-B2 Prostaglandin receptor EP2 antagonists, derivatives, compositions, and uses related thereto PTGER2, PTGES2, PTGER1 ADA 3650/4885TLR8 466/4885NOS3 751/4885

“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.