SCHEMBL13916618

SCHEMBL13916618

COC(=O)[C@H](C)N1Cc2ccccc2[C@H](N)C1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.40
TSHR P16473 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
ANPEP P15144 2/20 0.39
XIAP P98170 1/20 0.39
PHGDH O43175 1/20 0.37
ACE P12821 2/20 0.37
OPRM1 P35372 2/20 0.37
OPRD1 P41143 1/20 0.37
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36
HTR2A P28223 1/20 0.36
THRB P10828 1/20 0.36
DPP8 Q6V1X1 2/20 0.36
DPP9 Q86TI2 2/20 0.36
DPP4 P27487 1/20 0.36
FAP Q12884 1/20 0.36
DPP7 Q9UHL4 1/20 0.36
DRD4 P21917 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
SCHEMBL13916619 0.78 EPHX2 (0.40) USP2TSHRXIAPDPP8DPP9
SCHEMBL4989954 0.70 ANPEP (0.50) TSHRANPEPXIAPOPRM1LMNA
Hydrochloric Acid SCHEMBL30630763 0.69 ANPEP (0.51) ANPEPXIAPHTR2A
Hydrochloric Acid SCHEMBL22612124 0.69 ANPEP (0.51) ANPEPXIAPHTR2A
SCHEMBL7346189 0.69 ANPEP (0.41) TSHRANPEPXIAPACEOPRM1
SCHEMBL7346183 0.69 ANPEP (0.41) TSHRANPEPXIAPACEOPRM1
SCHEMBL7346194 0.69 ANPEP (0.41) TSHRANPEPXIAPACEOPRM1
SCHEMBL7438781 0.69 OPRM1 (0.45) TSHRXIAPACEOPRM1OPRD1
SCHEMBL7442234 0.68 OPRM1 (0.51) TSHRANPEPXIAPACEOPRM1
SCHEMBL4423615 0.66 XIAP (0.52) XIAPACEOPRM1OPRD1LMNA

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-20090069302-A1 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2009-03-12 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-20090069302-A1 CHEMICAL COMPOUNDS TBXA2R, PDE4D, PDE4A USP2 3517/4885TSHR 576/4885NPC1 1998/4885

“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.