SCHEMBL2461680

SCHEMBL2461680

O=C(O)N1CCOCCC1=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.37
POLB P06746 2/20 0.37
GAA P10253 1/20 0.37
HSD17B10 Q99714 1/20 0.36
LMNA P02545 1/20 0.35
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA9 Q16790 1/20 0.34
GLA P06280 1/20 0.34
HPGD P15428 2/20 0.34
KMO O15229 1/20 0.34
ALDH1A1 P00352 1/20 0.34
CYP2C9 P11712 2/20 0.33
CYP2C19 P33261 2/20 0.33
AKR1C3 P42330 1/20 0.33
MEN1 O00255 1/20 0.33
TP53 P04637 1/20 0.33
KMT2A Q03164 1/20 0.33
HTT P42858 1/20 0.33
PHGDH O43175 1/20 0.33

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
SCHEMBL926090 0.81 SMN1; SMN2 (0.42) SMN1; SMN2POLBGAAHSD17B10CA12
SCHEMBL8778482 0.77 HPGD (0.54) SMN1; SMN2GAALMNAHPGDALDH1A1
SCHEMBL2225143 0.77
SCHEMBL11995195 0.73 USP2 (0.56) SMN1; SMN2LMNAMEN1KMT2A
SCHEMBL59155 0.73
SCHEMBL839318 0.71 LMNA (0.59) SMN1; SMN2POLBLMNACA12CA1
SCHEMBL1700875 0.71 LMNA (0.59) SMN1; SMN2POLBLMNACA12CA1
SCHEMBL10871994 0.71 LMNA (0.59) SMN1; SMN2POLBLMNACA12CA1
SCHEMBL2297517 0.71 LMNA (0.59) SMN1; SMN2POLBLMNACA12CA1
SCHEMBL1238335 0.71 LMNA (0.54) SMN1; SMN2POLBGAAHSD17B10LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8541585-B2 N-acyl cyclic amine derivative or pharmaceutically acceptable salt thereof DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2013-09-24 US disclosed
EP-2545046-A1 N-ACYL CYCLIC AMINE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF Dainippon Sumitomo Pharma Co., Ltd. (JP) 2013-01-16 EP disclosed
US-20120214790-A1 N-ACYL CYCLIC AMINE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF DAINIPPON SUMITOMO PHARMA CO., LTD. 2012-08-23 US disclosed
WO-2011111875-A1 N-ACYL CYCLIC AMINE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2011-09-15 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-20120214790-A1 N-ACYL CYCLIC AMINE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF GRIN2C, GRIN2A, GRIN2B SMN1; SMN2 968/4885POLB 2702/4885GAA 3984/4885

“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.