SCHEMBL13347443

SCHEMBL13347443

CCC(OC(C)=O)C1CCC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.39
IDO1 P14902 1/20 0.36
SHBG P04278 1/20 0.35
LMNA P02545 2/20 0.35
MAPK1 P28482 1/20 0.34
CCRL2 O00421 1/20 0.33
SLC18A3 Q16572 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
EPHX1 P07099 1/20 0.33
CHRM2 P08172 2/20 0.32
CHRM4 P08173 2/20 0.32
CHRM1 P11229 2/20 0.32
CHRM3 P20309 1/20 0.32
TBXA2R P21731 1/20 0.31
ALDH1A1 P00352 2/20 0.31
GALR3 O60755 1/20 0.31
MAPT P10636 1/20 0.31
BLM P54132 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL14088062 0.94 SHBG (0.43) TSHRIDO1SHBGLMNAMAPK1
SCHEMBL2380868 0.94 SHBG (0.43) TSHRIDO1SHBGLMNAMAPK1
SCHEMBL7671752 0.92 TSHR (0.42) TSHRIDO1SHBGLMNACCRL2
SCHEMBL10747014 0.82 TSHR (0.34) TSHRIDO1LMNACCRL2SLC18A3
SCHEMBL9998327 0.82 TSHR (0.34) TSHRIDO1LMNACCRL2SLC18A3
SCHEMBL4476043 0.82 SHBG (0.41) TSHRSHBGEPHX1ALDH1A1SMN1; SMN2
SCHEMBL4441773 0.81 TDP1 (0.43) TSHRIDO1LMNAMAPK1MEN1
SCHEMBL25074937 0.80 HSD11B1 (0.36) TSHRLMNACCRL2SLC18A3MEN1
SCHEMBL4463799 0.80 SHBG (0.45) TSHRSHBGEPHX1ALDH1A1
SCHEMBL4476053 0.80 SHBG (0.40) TSHRSHBGLMNAMEN1KMT2A

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-20100113821-A1 PREPARATION OF 3-AMINO-3-(CYCLOBUTYLMETHYL)-2-(HYDROXY)-PROPIONAMIDE HYDROCHLORIDE SCHERING-PLOUGH CORPORATION (US) 2010-05-06 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-20100113821-A1 PREPARATION OF 3-AMINO-3-(CYCLOBUTYLMETHYL)-2-(HYDROXY)-PROPIONAMIDE HYDROCHLORIDE CTRL, DNPEP, DPP3 TSHR 3905/4885IDO1 568/4885SHBG 3871/4885

“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.