SCHEMBL4802058

SCHEMBL4802058

CC(C)(C)OC(=O)C1CC2CCCCC2N1C(=O)OCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 1/20 0.46
AGTR2 P50052 1/20 0.45
FKBP1A P62942 4/20 0.44
ACE P12821 6/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
USP2 O75604 1/20 0.43
LMNA P02545 1/20 0.43
CTSL P07711 1/20 0.43
SIGMAR1 Q99720 1/20 0.43
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CASP1 P29466 1/20 0.41
KLK7 P49862 1/20 0.41
CYP3A4 P08684 1/20 0.41
ALOX15 P16050 1/20 0.41

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
SCHEMBL15457809 0.89 FKBP1A (0.46) HTR2CAGTR2FKBP1AACEMEN1
SCHEMBL12684557 0.89 FKBP1A (0.46) HTR2CAGTR2FKBP1AACEMEN1
SCHEMBL629532 0.89 FKBP1A (0.46) HTR2CAGTR2FKBP1AACEMEN1
SCHEMBL4796044 0.89 CYP3A4 (0.45) FKBP1ANPC1RAB9ASMN1; SMN2CASP1
SCHEMBL4798767 0.88 FKBP1A (0.49) HTR2CFKBP1AACEMEN1KMT2A
SCHEMBL4796474 0.87 ACE (0.51) HTR2CFKBP1AACEMEN1KMT2A
SCHEMBL9877388 0.86 FKBP1A (0.49) HTR2CFKBP1AACEMEN1KMT2A
SCHEMBL9878033 0.86 FKBP1A (0.49) HTR2CFKBP1AACEMEN1KMT2A
SCHEMBL4798953 0.86 ALDH1A1 (0.41) LMNASIGMAR1
SCHEMBL4798899 0.86 ACE (0.48) HTR2CFKBP1AACEMEN1KMT2A

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 HTR2C 279/4885AGTR2 593/4885FKBP1A 2515/4885

“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.