SCHEMBL2359508

SCHEMBL2359508

CCOC(=O)CCC1CC2(CCN1)OCCO2

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.35
TSHR P16473 2/20 0.35
LMNA P02545 2/20 0.35
ALDH1A1 P00352 4/20 0.34
USP2 O75604 1/20 0.34
ALOX15 P16050 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
CYP3A4 P08684 2/20 0.34
CYP2C19 P33261 2/20 0.34
MAPK1 P28482 2/20 0.34
TP53 P04637 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CYP2C9 P11712 1/20 0.33
S1PR1 P21453 1/20 0.33
S1PR3 Q99500 1/20 0.33
RAB9A P51151 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CYP1A2 P05177 1/20 0.32
EPHX2 P34913 2/20 0.32
GAA P10253 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
SCHEMBL12283535 0.84 LMNA (0.33) LMNAALDH1A1MAPK1S1PR1S1PR3
SCHEMBL20231889 0.75 POLB (0.41) POLBTSHRLMNAALDH1A1USP2
SCHEMBL23046260 0.75 S1PR1 (0.31) S1PR1S1PR3
SCHEMBL16771753 0.74 TSHR (0.41) POLBTSHRLMNAALDH1A1USP2
SCHEMBL17131034 0.74 TSHR (0.41) POLBTSHRLMNAALDH1A1USP2
SCHEMBL2335305 0.74 TSHR (0.41) POLBTSHRLMNAALDH1A1USP2
SCHEMBL2360053 0.73 SLC6A2 (0.34) POLBALDH1A1CYP3A4CYP2C19SMN1; SMN2
SCHEMBL4119316 0.73 GPR119 (0.42) POLBTSHRLMNAALDH1A1USP2
SCHEMBL6129181 0.72 ALDH1A1 (0.44) POLBTSHRLMNAALDH1A1USP2
SCHEMBL24740457 0.72 TDP1 (0.42) POLBTSHRALDH1A1USP2ALOX15

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110230497-A1 BIOLOGICALLY ACTIVE AMIDES H. LUNDBECK A/S (DK) 2011-09-22 US disclosed
US-20110230497-A1 BIOLOGICALLY ACTIVE AMIDES H. LUNDBECK A/S (DK) 2011-09-22 US disclosed
EP-2352730-A2 BIOLOGICALLY ACTIVE AMIDES H. Lundbeck A/S (DK) 2011-08-10 EP disclosed
WO-2010053861-A2 BIOLOGICALLY ACTIVE AMIDES H. LUNDBECK A/S (DK) 2010-05-14 WO disclosed
WO-2010053861-A2 BIOLOGICALLY ACTIVE AMIDES H. LUNDBECK A/S (DK) 2010-05-14 WO 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-20110230497-A1 BIOLOGICALLY ACTIVE AMIDES NPY5R, NPY1R, NPY2R POLB 4553/4885TSHR 209/4885LMNA 4215/4885

“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.