SCHEMBL8225577

SCHEMBL8225577

CC[C@@H]1CC12CC(CO)N(Cc1ccccc1)C2

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.40
GRM6 O15303 1/20 0.39
GBA1 P04062 1/20 0.38
DRD2 P14416 4/20 0.38
DRD3 P35462 4/20 0.38
DRD1 P21728 2/20 0.38
MAPT P10636 1/20 0.37
SPHK2 Q9NRA0 2/20 0.36
SPHK1 Q9NYA1 2/20 0.36
OPRM1 P35372 1/20 0.35
OPRD1 P41143 1/20 0.35
OPRK1 P41145 1/20 0.35

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
SCHEMBL14959515 0.85 SIGMAR1 (0.42) SIGMAR1GRM6GBA1DRD2DRD3
SCHEMBL12187945 0.79 SIGMAR1 (0.42) SIGMAR1GRM6GBA1DRD2DRD3
SCHEMBL8142711 0.79 GBA1 (0.46) SIGMAR1GRM6GBA1MAPTSPHK2
SCHEMBL14885473 0.76 GRM6 (0.43) SIGMAR1GRM6GBA1MAPTSPHK2
SCHEMBL8224955 0.76 GRM6 (0.43) SIGMAR1GRM6GBA1MAPTSPHK2
SCHEMBL16716374 0.75 SIGMAR1 (0.41) SIGMAR1GRM6GBA1MAPTSPHK2
SCHEMBL4563595 0.75 SIGMAR1 (0.41) SIGMAR1GRM6GBA1MAPTSPHK2
SCHEMBL12163773 0.75 SIGMAR1 (0.41) SIGMAR1GRM6GBA1MAPTSPHK2
SCHEMBL2805318 0.75 SIGMAR1 (0.41) SIGMAR1GRM6GBA1MAPTSPHK2
SCHEMBL8159118 0.74 SIGMAR1 (0.41) SIGMAR1GRM6GBA1DRD2DRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2007789-B1 Spirocyclic HCV/HIV inhibitors and their uses NOVARTIS AG (CH) 2015-05-20 EP disclosed
US-20130149281-A1 ORGANIC COMPOUNDS AND THEIR USES NOVARTIS AG (CH) 2013-06-13 US disclosed
US-8445527-B2 Organic compounds and their uses NOVARTIS AG (CH) 2013-05-21 US disclosed
EP-2518079-A2 HCV/HIV inhibitors and their uses Novartis AG (CH) 2012-10-31 EP disclosed
US-20120231998-A1 ORGANIC COMPOUNDS AND THEIR USES NOVARTIS AG (CH) 2012-09-13 US disclosed
US-8211932-B2 Organic compounds and their uses NOVARTIS AG (CH) 2012-07-03 US disclosed
US-8211932-B2 Organic compounds and their uses NOVARTIS AG (CH) 2012-07-03 US disclosed
US-20100331243-A1 ORGANIC COMPOUNDS AND THEIR USES NOVARTIS AG (CH) 2010-12-30 US disclosed
US-20100331243-A1 ORGANIC COMPOUNDS AND THEIR USES NOVARTIS AG (CH) 2010-12-30 US disclosed
US-7825152-B2 serine protease inhibitors, for the treatment of hepatitis c virus infections NOVARTIS AG (CH) 2010-11-02 US disclosed
US-7825152-B2 serine protease inhibitors, for the treatment of hepatitis c virus infections NOVARTIS AG (CH) 2010-11-02 US disclosed
US-20070286842-A1 Organic Compounds and Their Uses NOVARTIS AG (CH) 2007-12-13 US disclosed
US-20070286842-A1 Organic Compounds and Their Uses NOVARTIS AG (CH) 2007-12-13 US disclosed
WO-2007133865-A2 HCV/HIV INHIBITORS AN THEIR USES NOVARTIS AG (CH) 2007-11-22 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 (4 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-20100331243-A1 ORGANIC COMPOUNDS AND THEIR USES OAT, OTC, AOX1 SIGMAR1 861/4885GRM6 3317/4885GBA1 764/4885
US-20130149281-A1 ORGANIC COMPOUNDS AND THEIR USES OAT, HAVCR2, CPT1A SIGMAR1 258/4885GRM6 1225/4885GBA1 67/4885
US-20070286842-A1 Organic Compounds and Their Uses OAT, OTC, AOX1 SIGMAR1 861/4885GRM6 3317/4885GBA1 764/4885
US-20120231998-A1 ORGANIC COMPOUNDS AND THEIR USES OAT, OTC, AOX1 SIGMAR1 861/4885GRM6 3317/4885GBA1 764/4885

“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.