SCHEMBL1820167

SCHEMBL1820167

CCCCOC(=O)N1CCC2C(=O)CCCC21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.40
LMNA P02545 2/20 0.40
POLB P06746 1/20 0.40
GBA2 Q9HCG7 1/20 0.37
BCHE P06276 1/20 0.36
CHRM2 P08172 2/20 0.35
CHRM4 P08173 2/20 0.35
CHRM5 P08912 2/20 0.35
CHRM1 P11229 2/20 0.35
CHRM3 P20309 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
KMT2A Q03164 4/20 0.33
TP53 P04637 2/20 0.33
ALDH1A1 P00352 2/20 0.33
NPC1 O15118 1/20 0.33
MAPT P10636 1/20 0.33
NFKB1 P19838 1/20 0.33
RAB9A P51151 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 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
SCHEMBL1976892 1.00 SMN1; SMN2 (0.40) SMN1; SMN2LMNAPOLBGBA2BCHE
SCHEMBL1975655 1.00 SMN1; SMN2 (0.40) SMN1; SMN2LMNAPOLBGBA2BCHE
SCHEMBL1972893 0.92 CYP2D6 (0.34) SMN1; SMN2GBA2KMT2ATP53CYP2D6
SCHEMBL1819283 0.92 CYP2D6 (0.34) SMN1; SMN2GBA2KMT2ATP53CYP2D6
SCHEMBL1974127 0.92 CYP2D6 (0.34) SMN1; SMN2GBA2KMT2ATP53CYP2D6
SCHEMBL1821719 0.88 CYP2D6 (0.42) L3MBTL1KMT2AALDH1A1CYP2D6
SCHEMBL1976076 0.88 CYP2D6 (0.42) L3MBTL1KMT2AALDH1A1CYP2D6
SCHEMBL1974539 0.88 CYP2D6 (0.42) L3MBTL1KMT2AALDH1A1CYP2D6
SCHEMBL30872362 0.81 SMN1; SMN2 (0.41) SMN1; SMN2LMNAPOLBGBA2BCHE
SCHEMBL1691950 0.81 CYP2D6 (0.41) SMN1; SMN2L3MBTL1KMT2AALDH1A1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2315748-B1 PROCESSES FOR THE PREPARATION OF 4-OXO-OCTAHYDRO-INDOLE-1-CARBOCYLIC ACID METHYL ESTER AND DERIVATIVES THEREOF NOVARTIS AG (CH) 2015-06-24 EP disclosed
US-8084487-B2 Processes for the preparation of 4-oxo-octahydro-indole-1-carbocyclic acid methyl ester and derivatives thereof NOVARTIS AG (CH) 2011-12-27 US disclosed
US-20110144352-A1 PROCESSES FOR THE PREPARATION OF 4-OXO-OCTAHYDRO-INDOLE-1-CARBOCYCLIC ACID METHYL ESTER AND DERIVATIVES THEREOF NOVARTIS AG (CH) 2011-06-16 US disclosed
EP-2315748-A1 PROCESSES FOR THE PREPARATION OF 4-OXO-OCTAHYDRO-INDOLE-1-CARBOCYLIC ACID METHYL ESTER AND DERIVATIVES THEREOF Novartis AG (CH) 2011-05-04 EP disclosed
WO-2010018154-A1 PROCESSES FOR THE PREPARATION OF 4-OXO-OCTAHYDRO-INDOLE-1-CARBOCYLIC ACID METHYL ESTER AND DERIVATIVES THEREOF NOVARTIS AG (CH) 2010-02-18 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-20110144352-A1 PROCESSES FOR THE PREPARATION OF 4-OXO-OCTAHYDRO-INDOLE-1-CARBOCYCLIC ACID METHYL ESTER AND DERIVATIVES THEREOF KMO, IDO1, ALKBH3 SMN1; SMN2 4231/4885LMNA 3636/4885POLB 3853/4885

“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.