SCHEMBL1972893

SCHEMBL1972893

CCCOC(=O)N1CC[C@@H]2C(=O)CCC[C@@H]21

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.34
PDE4B Q07343 1/20 0.33
CNR2 P34972 1/20 0.33
ELANE P08246 1/20 0.33
CTSG P08311 1/20 0.33
KDM4E B2RXH2 1/20 0.33
GLA P06280 1/20 0.33
IDH1 O75874 1/20 0.32
SMYD3 Q9H7B4 1/20 0.32
PPM1B O75688 1/20 0.32
PTPN1 P18031 1/20 0.32
PPP1CC P36873 1/20 0.32
KMT2A Q03164 1/20 0.31
GBA2 Q9HCG7 1/20 0.31
TP53 P04637 1/20 0.31
HPGD P15428 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL1974127 1.00 CYP2D6 (0.34) CYP2D6PDE4BCNR2ELANECTSG
SCHEMBL1819283 1.00 CYP2D6 (0.34) CYP2D6PDE4BCNR2ELANECTSG
SCHEMBL1975655 0.92 SMN1; SMN2 (0.40) CYP2D6KMT2AGBA2TP53HPGD
SCHEMBL1976892 0.92 SMN1; SMN2 (0.40) CYP2D6KMT2AGBA2TP53HPGD
SCHEMBL1820167 0.92 SMN1; SMN2 (0.40) CYP2D6KMT2AGBA2TP53HPGD
SCHEMBL1976076 0.90 CYP2D6 (0.42) CYP2D6ELANECTSGKMT2A
SCHEMBL1821719 0.90 CYP2D6 (0.42) CYP2D6ELANECTSGKMT2A
SCHEMBL1974539 0.90 CYP2D6 (0.42) CYP2D6ELANECTSGKMT2A
SCHEMBL1691950 0.83 CYP2D6 (0.41) CYP2D6ELANECTSGKMT2ASMN1; SMN2
SCHEMBL1972541 0.82 NR1H2 (0.33) CYP2D6ELANECTSG

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
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

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 CYP2D6 73/4885PDE4B 1674/4885CNR2 21/4885

“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.