SCHEMBL4797609

SCHEMBL4797609

CCC(C)OC(=O)C1CC2CCCCC2N1C(=O)OC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ACE P12821 7/20 0.39
CHRM2 P08172 1/20 0.38
CHRM1 P11229 1/20 0.38
CHRM3 P20309 1/20 0.38
PREP P48147 4/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
USP2 O75604 1/20 0.35
LMNA P02545 1/20 0.35
POLB P06746 1/20 0.34
NR1H2 P55055 1/20 0.33
CYP3A4 P08684 1/20 0.33
ALOX15 P16050 1/20 0.33
CTSL P07711 1/20 0.33
CTSB P07858 1/20 0.33
CTSH P09668 1/20 0.33
CTSK P43235 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
SCHEMBL4800732 0.89 CHRM2 (0.42) ACECHRM2CHRM1CHRM3PREP
SCHEMBL4802585 0.85 ACE (0.41) ACEPREPMEN1KMT2AUSP2
SCHEMBL4795338 0.85 CHRM2 (0.45) ACECHRM2CHRM1CHRM3PREP
SCHEMBL4798698 0.84 ACE (0.43) ACECHRM2CHRM1CHRM3PREP
SCHEMBL5167701 0.83 PTPN1 (0.41) ACECHRM2CHRM1CHRM3PREP
SCHEMBL4307322 0.82 CYP3A4 (0.44) CHRM2CHRM1CHRM3PREPCYP3A4
SCHEMBL5772237 0.82 CYP3A4 (0.44) CHRM2CHRM1CHRM3PREPCYP3A4
SCHEMBL4799008 0.82 ACE (0.39) ACECHRM2CHRM1CHRM3PREP
SCHEMBL4797812 0.82 ACE (0.38) ACECHRM1PREPMEN1KMT2A
SCHEMBL15125221 0.81 CHRM2 (0.42) ACECHRM2CHRM1CHRM3PREP

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-7439036-B2 Process for producing optically active octahydro-1H-indole-2-carboxylic acid SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2008-10-21 US disclosed
EP-1536017-B1 Process for producing optically active octahydro-1H-indole-2-carboxylic acid SUMITOMO CHEMICAL CO (JP) 2007-04-18 EP disclosed
EP-1536017-A2 Process for producing optically active octahydro-1H-indole-2-carboxylic acid Sumitomo Chemical Company, Limited (JP) 2005-06-01 EP disclosed
US-20050106690-A1 Process for producing optically active octahydro-1H-indole-2-carboxylic acid SUMITOMO CHEMICAL COMPANY, LIMITED 2005-05-19 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 (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-20050106690-A1 Process for producing optically active octahydro-1H-indole-2-carboxylic acid IDO1, IDO2, APEH ACE 1148/4885CHRM2 478/4885CHRM1 235/4885

“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.