SCHEMBL13795372

SCHEMBL13795372

COC(=O)[C@H]1CC[C@H](/N=C/c2ccc([N+](=O)[O-])cc2)CC1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.57
BCHE P06276 2/20 0.49
ACHE P22303 2/20 0.49
BACE1 P56817 2/20 0.49
LMNA P02545 1/20 0.47
HTT P42858 1/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
NAMPT P43490 1/20 0.46
CTDSP1 Q9GZU7 1/20 0.45
POLB P06746 1/20 0.43
MAOB P27338 1/20 0.43
GAA P10253 1/20 0.43
ALDH1A1 P00352 1/20 0.43

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
SCHEMBL13144970 1.00 MAPT (0.57) MAPTBCHEACHEBACE1LMNA
SCHEMBL13805766 0.83 BCHE (0.56) MAPTBCHEACHEBACE1LMNA
SCHEMBL3543089 0.78 MAPT (0.63) MAPTMEN1KMT2ANAMPTPOLB
SCHEMBL3543093 0.78 MAPT (0.63) MAPTMEN1KMT2ANAMPTPOLB
SCHEMBL30441578 0.75 ERN1 (0.44) MAPTLMNAHTTMEN1KMT2A
SCHEMBL13245958 0.75 MAPT (0.59) MAPTMEN1KMT2ANAMPTALDH1A1
SCHEMBL2993765 0.75 MAPT (0.62) MAPTMEN1KMT2ANAMPTPOLB
SCHEMBL13245959 0.75 MAPT (0.62) MAPTMEN1KMT2ANAMPTPOLB
SCHEMBL2984932 0.75 MAPT (0.59) MAPTMEN1KMT2ANAMPTALDH1A1
SCHEMBL3544325 0.74 MAPT (0.58) MAPTMEN1KMT2ANAMPTPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7547800-B2 Process for trans-4-amino-1-cyclohexanecarboxylic acid derivatives SHIONOGI & CO., LTD. (JP) 2009-06-16 US disclosed
US-7547800-B2 Process for trans-4-amino-1-cyclohexanecarboxylic acid derivatives SHIONOGI & CO., LTD. (JP) 2009-06-16 US disclosed
US-20090043094-A1 PROCESS FOR TRANS-4-AMINO-1-CYCLOHEXANECARBOXYLIC ACID DERIVATIVES SHIONOGI & CO., LTD. (JP) 2009-02-12 US disclosed
US-20090043094-A1 PROCESS FOR TRANS-4-AMINO-1-CYCLOHEXANECARBOXYLIC ACID DERIVATIVES SHIONOGI & CO., LTD. (JP) 2009-02-12 US disclosed
US-7459580-B2 Process for trans-4-amino-1-cyclohexanecarboxilic acid derivatives SHIONOGI & CO., LTD. (JP) 2008-12-02 US disclosed
US-7459580-B2 Process for trans-4-amino-1-cyclohexanecarboxilic acid derivatives SHIONOGI & CO., LTD. (JP) 2008-12-02 US disclosed
US-20080039662-A1 PROCESS FOR TRANS-4-AMINO-1-CYCLOHEXANECARBOXILIC ACID DERIVATIVES SHIONOGI & CO., LTD. (JP) 2008-02-14 US disclosed
US-20080039662-A1 PROCESS FOR TRANS-4-AMINO-1-CYCLOHEXANECARBOXILIC ACID DERIVATIVES SHIONOGI & CO., LTD. (JP) 2008-02-14 US disclosed
US-7314950-B2 Process for producing trans-4-amino-1-cyclohexanecarboxilic acid derivative SHIONOGI & CO., LTD. (JP) 2008-01-01 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 (2 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-20090043094-A1 PROCESS FOR TRANS-4-AMINO-1-CYCLOHEXANECARBOXYLIC ACID DERIVATIVES ACMSD, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, AADAT MAPT 1721/4885BCHE 2148/4885ACHE 2838/4885
US-20080039662-A1 PROCESS FOR TRANS-4-AMINO-1-CYCLOHEXANECARBOXILIC ACID DERIVATIVES AADAT, ACMSD, AAAS MAPT 1445/4885BCHE 1354/4885ACHE 2477/4885

“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.