SCHEMBL3487604

SCHEMBL3487604

O=C(O)N1CCC[C@@H](NC2CCCCC2)C1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.47
THRB P10828 1/20 0.46
ATM Q13315 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
ALDH1A1 P00352 2/20 0.44
HSD17B10 Q99714 2/20 0.44
KDM4E B2RXH2 2/20 0.42
POLB P06746 2/20 0.42
CA1 P00915 3/20 0.41
CA2 P00918 3/20 0.41
CA12 O43570 2/20 0.41
CA9 Q16790 2/20 0.41
EPHX2 P34913 2/20 0.39
EPHX1 P07099 2/20 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
SCHEMBL28779681 1.00 HTT (0.47) HTTTHRBATML3MBTL1ALDH1A1
SCHEMBL5120727 0.98 HTT (0.44) HTTTHRBATML3MBTL1ALDH1A1
SCHEMBL5116850 0.98 HTT (0.44) HTTTHRBATML3MBTL1ALDH1A1
SCHEMBL28513626 0.94 CA1 (0.41) HTTTHRBATML3MBTL1ALDH1A1
SCHEMBL28944441 0.94 CA1 (0.41) HTTTHRBATML3MBTL1ALDH1A1
SCHEMBL28944439 0.94 CA1 (0.41) HTTTHRBATML3MBTL1ALDH1A1
SCHEMBL27003453 0.94 CA1 (0.41) HTTTHRBATML3MBTL1ALDH1A1
SCHEMBL3487568 0.94 CA1 (0.41) HTTTHRBATML3MBTL1ALDH1A1
SCHEMBL28779723 0.93 HTT (0.47) HTTTHRBATML3MBTL1ALDH1A1
SCHEMBL5202228 0.93 THRB (0.54) HTTTHRBATML3MBTL1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114717211-A Imine reductase mutant M5 and application thereof in synthesis of azacyclo chiral amine 江苏集萃分子工程研究院有限公司 2022-07-08 CN disclosed
US-20100056497-A1 AMIDE DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD (JP) 2010-03-04 US disclosed
EP-2119702-A1 AMIDE DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2009-11-18 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-20100056497-A1 AMIDE DERIVATIVE REN, AGTR1, AGTR2 HTT 2910/4885THRB 552/4885ATM 4101/4885

“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.