SCHEMBL4385456

SCHEMBL4385456

CCOC(=O)CCN1CCNC(=O)C1

nearest known ligand 0.64

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.64
THRB P10828 15/20 0.51
LMNA P02545 1/20 0.41
POLB P06746 1/20 0.40
KAT2B Q92831 1/20 0.39

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
SCHEMBL4386122 0.92 TSHR (0.61) TSHRTHRB
SCHEMBL7372256 0.85 TSHR (0.59) TSHRTHRBPOLB
Hydrochloric Acid SCHEMBL4109529 0.84 TSHR (0.58) TSHRTHRBPOLB
SCHEMBL1341702 0.81 TSHR (0.43) TSHRLMNAPOLB
Hydrochloric Acid SCHEMBL4123503 0.80 TSHR (0.42) TSHRLMNAPOLB
SCHEMBL18138091 0.80 TSHR (0.42) TSHRLMNAPOLB
Hydrochloric Acid SCHEMBL16528079 0.80 TSHR (0.42) TSHRLMNAPOLB
SCHEMBL16265723 0.78 TSHR (0.41) TSHRLMNAPOLBKAT2B
Ethyl Propionate SCHEMBL11668791 0.77 TSHR (0.40) TSHRLMNAPOLB
SCHEMBL26097101 0.77 TSHR (0.54) TSHRLMNAPOLBKAT2B

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-20090306059-A1 CYCLIC AMINE DERIVATIVE HAVING SUBSTITUTED ALKYL GROUP DAIICHI SANKYO COMPANY, LIMITED (JP) 2009-12-10 US disclosed
EP-1889835-A1 CYCLIC AMINE DERIVATIVE HAVING SUBSTITUTED ALKYL GROUP Daiichi Sankyo Company, Limited (JP) 2008-02-20 EP 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-20090306059-A1 CYCLIC AMINE DERIVATIVE HAVING SUBSTITUTED ALKYL GROUP CBR3, CNR1, C3AR1 TSHR 131/4885THRB 1647/4885LMNA 1421/4885

“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.