SCHEMBL1821719

SCHEMBL1821719

CCOC(=O)N1CCC2C(=O)CCCC21

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.42
ELANE P08246 1/20 0.40
CTSG P08311 1/20 0.40
KMT2A Q03164 1/20 0.39
ALDH1A1 P00352 3/20 0.38
L3MBTL1 Q9Y468 2/20 0.37
THRB P10828 1/20 0.37
ATM Q13315 1/20 0.37
GAA P10253 1/20 0.36
GRM5 P41594 2/20 0.36
OPRM1 P35372 1/20 0.36
OPRK1 P41145 1/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36

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
SCHEMBL1974539 1.00 CYP2D6 (0.42) CYP2D6ELANECTSGKMT2AALDH1A1
SCHEMBL1976076 1.00 CYP2D6 (0.42) CYP2D6ELANECTSGKMT2AALDH1A1
SCHEMBL1691950 0.93 CYP2D6 (0.41) CYP2D6ELANECTSGKMT2AALDH1A1
SCHEMBL1972893 0.90 CYP2D6 (0.34) CYP2D6ELANECTSGKMT2A
SCHEMBL1819283 0.90 CYP2D6 (0.34) CYP2D6ELANECTSGKMT2A
SCHEMBL1974127 0.90 CYP2D6 (0.34) CYP2D6ELANECTSGKMT2A
SCHEMBL1976892 0.88 SMN1; SMN2 (0.40) CYP2D6KMT2AALDH1A1L3MBTL1
SCHEMBL1975655 0.88 SMN1; SMN2 (0.40) CYP2D6KMT2AALDH1A1L3MBTL1
SCHEMBL1820167 0.88 SMN1; SMN2 (0.40) CYP2D6KMT2AALDH1A1L3MBTL1
SCHEMBL1976683 0.86 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 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 CYP2D6 73/4885ELANE 4304/4885CTSG 2096/4885

“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.