SCHEMBL21884029

SCHEMBL21884029

CCCCCC(C)c1nccc(C)c1N

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 4/20 0.42
NOS3 P29474 3/20 0.42
ADA P00813 3/20 0.37
TLR8 Q9NR97 5/20 0.35
OPRM1 P35372 1/20 0.33
PDE4B Q07343 1/20 0.32
GPR84 Q9NQS5 1/20 0.31
SLC2A1 P11166 1/20 0.31

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
SCHEMBL21883622 0.95 NOS2 (0.43) NOS2NOS3ADATLR8
SCHEMBL20621321 0.82 NOS2 (0.48) NOS2NOS3
SCHEMBL23491192 0.80 L3MBTL1 (0.36) ADA
SCHEMBL22096911 0.75 L3MBTL1 (0.34) ADATLR8
SCHEMBL20267199 0.75 NOS3 (0.36) NOS2NOS3
Hexane SCHEMBL28173825 0.74 NOS2 (0.52) NOS2NOS3TLR8PDE4B
SCHEMBL19590668 0.74 NOS2 (0.56) NOS2NOS3
SCHEMBL9689922 0.72 OPRM1 (0.36) ADAOPRM1GPR84SLC2A1
SCHEMBL24576064 0.72 NOS3 (0.37) NOS2NOS3TLR8
Methylamine SCHEMBL23201523 0.72 NOS2 (0.54) NOS2NOS3

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-10597377-B2 Somatostatin modulators and uses thereof Crinetics Pharmaceuticals, Inc. (US) 2020-03-24 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-10597377-B2 Somatostatin modulators and uses thereof SSTR5, SSTR2, SSTR4 NOS2 1227/4885NOS3 887/4885ADA 2092/4885

“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.