SCHEMBL13233386

SCHEMBL13233386

CCN(CCCC[C@H](N)C(=O)O)CC(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GSR P00390 2/20 0.47
▸ BHMT Q93088 1/20 0.45
▸ NOS1 P29475 7/20 0.45
▸ NOS2 P35228 6/20 0.45
▸ NOS3 P29474 4/20 0.45
▸ ARG2 P78540 4/20 0.43
▸ ARG1 P05089 3/20 0.43
▸ CYP1A2 P05177 2/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ DDAH1 O94760 2/20 0.41
▸ BLM P54132 1/20 0.41
▸ GRIK1 P39086 2/20 0.41
▸ SLC1A2 P43004 2/20 0.41
▸ SLC1A1 P43005 2/20 0.41
▸ GRIK2 Q13002 2/20 0.41
▸ GRM8 O00222 1/20 0.41
▸ GRM6 O15303 1/20 0.41
▸ GRIN2D O15399 1/20 0.41
▸ GRIN3B O60391 1/20 0.41

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
SCHEMBL158633 0.90 GSR (0.53) GSRBHMTNOS1NOS2NOS3
SCHEMBL23815592 0.90 GSR (0.53) GSRNOS1NOS2NOS3ARG2
SCHEMBL2305699 0.90 GSR (0.53) GSRBHMTNOS1NOS2NOS3
SCHEMBL23682813 0.90 GSR (0.53) GSRNOS1NOS2NOS3ARG2
Water SCHEMBL1336386 0.88 GSR (0.52) GSRBHMTNOS1NOS2NOS3
SCHEMBL7166178 0.88 GSR (0.52) GSRBHMTNOS1NOS2NOS3
SCHEMBL10088294 0.88 GSR (0.52) GSRBHMTNOS1NOS2NOS3
SCHEMBL5613110 0.86 TDP1 (0.50) GSRBHMTNOS1NOS2NOS3
SCHEMBL17690553 0.85 GSR (0.46) GSRBHMTNOS1NOS2NOS3
SCHEMBL10088295 0.84 NOS2 (0.51) GSRBHMTNOS1NOS2NOS3

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-8562945-B2 Technetium- and rhenium-bis(heteroaryl) complexes and methods of use thereof MOLECULAR INSIGHT PHARMACEUTICALS, INC. (US) 2013-10-22 — — US disclosed
US-20100183509-A1 TECHNETIUM- AND RHENIUM-BIS(HETEROARYL) COMPLEXES AND METHODS OF USE THEREOF MOLECULAR INSIGHT PHARMACEUTICALS, INC. 2010-07-22 — — 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-20100183509-A1 TECHNETIUM- AND RHENIUM-BIS(HETEROARYL) COMPLEXES AND METHODS OF USE THEREOF SSTR5, SSTR3, SSTR4 GSR 4142/4885BHMT 2047/4885NOS1 3527/4885

“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.

Send feedback