SCHEMBL8265993

SCHEMBL8265993

COC(=O)[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1c1cccc(-c2ccccc2)c1

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 3/20 0.55
TACR1 P25103 1/20 0.54
USP30 Q70CQ3 6/20 0.53
SLC6A2 P23975 3/20 0.53
SLC6A4 P31645 3/20 0.53
SLC6A3 Q01959 3/20 0.53

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
SCHEMBL12054657 0.91 TACR1 (0.55) PDE4BTACR1USP30
SCHEMBL2245296 0.91 TACR1 (0.55) PDE4BTACR1USP30
SCHEMBL8265031 0.91 TACR1 (0.55) PDE4BTACR1USP30
SCHEMBL2239759 0.91 TACR1 (0.55) PDE4BTACR1USP30
SCHEMBL13617897 0.91 TACR1 (0.55) PDE4BTACR1USP30
SCHEMBL7826036 0.90 SLC6A2 (0.64) PDE4BTACR1SLC6A2SLC6A4SLC6A3
SCHEMBL8263768 0.89 PDE4B (0.50) PDE4BTACR1USP30SLC6A2SLC6A4
SCHEMBL2242242 0.89 TACR1 (0.52) PDE4BTACR1USP30
SCHEMBL10183195 0.89 TACR1 (0.52) PDE4BTACR1USP30
SCHEMBL8264132 0.89 TACR1 (0.52) PDE4BTACR1USP30

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8178559-B2 Organic compounds NOVARTIS AG (CH) 2012-05-15 US disclosed
US-8178559-B2 Organic compounds NOVARTIS AG (CH) 2012-05-15 US disclosed
US-8084450-B2 Organic compounds NOVARTIS AG (CH) 2011-12-27 US disclosed
US-8084450-B2 Organic compounds NOVARTIS AG (CH) 2011-12-27 US disclosed
US-20110263560-A1 Organic Compounds NOVARTIS AG (CH) 2011-10-27 US disclosed
US-20110263560-A1 Organic Compounds NOVARTIS AG (CH) 2011-10-27 US disclosed
EP-2177518-A1 Organic compounds Novartis AG (CH) 2010-04-21 EP disclosed
US-20090312304-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2009-12-17 US disclosed
US-20090312304-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2009-12-17 US disclosed
WO-2006069788-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2006-07-06 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 (2 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-20110263560-A1 Organic Compounds REN, ACE, OTC PDE4B 457/4885TACR1 433/4885USP30 3528/4885
US-20090312304-A1 ORGANIC COMPOUNDS REN, ACE, PIGO PDE4B 543/4885TACR1 475/4885USP30 3470/4885

“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.