SCHEMBL16645474

SCHEMBL16645474

Cn1cc(C(N)CC(=O)O)nn1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRIA4 P48058 4/20 0.36
GRIA1 P42261 3/20 0.36
GRIA2 P42262 3/20 0.36
GRIA3 P42263 3/20 0.36
BRD4 O60885 1/20 0.33
KEAP1 Q14145 2/20 0.32
IRAK4 Q9NWZ3 1/20 0.32
NR1H4 Q96RI1 1/20 0.31
SLC1A3 P43003 1/20 0.31
HTT P42858 1/20 0.31
DPP4 P27487 2/20 0.31
KDM4E B2RXH2 1/20 0.31
LTA4H P09960 1/20 0.30
TYR P14679 2/20 0.30

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
SCHEMBL16645380 0.81 MME (0.36) GRIA4GRIA1GRIA2GRIA3KEAP1
SCHEMBL20831024 0.74 TAAR1 (0.35)
SCHEMBL3206859 0.73 CPB2 (0.46) IRAK4HTTKDM4E
SCHEMBL10684223 0.70 CPB2 (0.35) GRIA4GRIA1GRIA2GRIA3BRD4
SCHEMBL22367502 0.69 BRD4 (0.34) GRIA4GRIA1GRIA2GRIA3BRD4
SCHEMBL28427202 0.67 KMT2A (0.31)
SCHEMBL10059980 0.67 GRIA4 (0.54) GRIA4GRIA1GRIA2GRIA3SLC1A3
SCHEMBL19389423 0.67 GRIA4 (0.54) GRIA4GRIA1GRIA2GRIA3SLC1A3
SCHEMBL20204351 0.66
SCHEMBL9914065 0.66 BRD4 (0.39) BRD4NR1H4KDM4E

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-9776977-B2 PSMA-targeting compounds and uses thereof THE JOHNS HOPKINS UNIVERSITY (US) 2017-10-03 US disclosed
US-20150104387-A1 PSMA-TARGETING COMPOUNDS AND USES THEREOF THE JOHNS HOPKINS UNIVERSITY (US) 2015-04-16 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-20150104387-A1 PSMA-TARGETING COMPOUNDS AND USES THEREOF FOLH1, KLK3, PSMA2 GRIA4 2971/4885GRIA1 2604/4885GRIA2 2794/4885

“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.