SCHEMBL8354476

SCHEMBL8354476

CC1COc2cc(F)ccc2C1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.41
AKR1B1 P15121 1/20 0.40
ESR1 P03372 1/20 0.38
ESR2 Q92731 1/20 0.38
TTR P02766 1/20 0.38
RIPK1 Q13546 1/20 0.37
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
CYP19A1 P11511 2/20 0.35
CA2 P00918 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
SCHEMBL25082619 1.00 ACHE (0.41) ACHEAKR1B1ESR1ESR2TTR
SCHEMBL16303421 0.86 MALT1 (0.40) ACHEAKR1B1RIPK1CYP19A1
SCHEMBL12433393 0.80 ALOX15B (0.43) ACHEESR1ESR2TTRCYP19A1
SCHEMBL1982960 0.79 ESR1 (0.41) ACHEAKR1B1ESR1ESR2TTR
SCHEMBL24429184 0.79 CHRNB4 (0.38) ESR1ESR2TTRHTR2A
SCHEMBL19194418 0.79 ESR1 (0.61) ESR1ESR2TTR
SCHEMBL25233691 0.79 ADRA2A (0.41) ESR1ESR2TTRHTR2AHTR2C
SCHEMBL28199825 0.79 ESR1 (0.38) ESR1ESR2TTR
SCHEMBL24090453 0.76 ALOX15 (0.47) ACHECYP19A1CA2
SCHEMBL13291827 0.76 TP53 (0.39) ESR1ESR2TTR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9926314-B2 Compounds and compositions for the treatment of parasitic diseases NOVARTIS AG (CH) 2018-03-27 US disclosed
US-9556169-B2 Compounds and compositions for the treatment of parasitic diseases NOVARTIS AG (CH) 2017-01-31 US disclosed
US-20160333012-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASES NOVARTIS AG (CH) 2016-11-17 US disclosed
US-20150344471-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASES NOVARTIS AG (CH) 2015-12-03 US disclosed
US-20150011522-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASES IRM LLC (BM) 2015-01-08 US disclosed
US-8871754-B2 Compounds and compositions for the treatment of parasitic diseases IRM LLC (BM) 2014-10-28 US disclosed
US-20140155367-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASES NOVARTIS AG (CH) 2014-06-05 US disclosed
US-7629468-B2 Neuroprotectants, analgesics or anticonvulsants JANSSEN PHARMACEUTICA NV (BE) 2009-12-08 US disclosed
US-7629468-B2 Neuroprotectants, analgesics or anticonvulsants JANSSEN PHARMACEUTICA NV (BE) 2009-12-08 US disclosed
US-7517517-B2 Radiolabelled quinoline and quinolinone derivatives and their use as metabotropic glutamate receptor ligands JANSSEN PHARMACEUTICA N.V. (BE) 2009-04-14 US disclosed
US-7517517-B2 Radiolabelled quinoline and quinolinone derivatives and their use as metabotropic glutamate receptor ligands JANSSEN PHARMACEUTICA N.V. (BE) 2009-04-14 US disclosed
EP-1332133-B1 METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA NV (BE) 2008-07-09 EP disclosed
WO-2003082350-A2 RADIOLABELLED QUINOLINE AND QUINOLINONE DERIVATIVES AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR LIGANDS JANSSEN PHARMACEUTICA N.V. (BE) 2003-10-09 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-20150344471-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASES MAPT, CYP11B1, CYP11B2 ACHE 230/4885AKR1B1 188/4885ESR1 4445/4885
US-20150011522-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASES MAPT, CYP11B1, CYP11B2 ACHE 230/4885AKR1B1 188/4885ESR1 4445/4885
US-20140155367-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASES MAPT, CYP11B1, CYP11B2 ACHE 230/4885AKR1B1 188/4885ESR1 4445/4885
US-20160333012-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASES MAPT, CYP11B1, CYP11B2 ACHE 230/4885AKR1B1 188/4885ESR1 4445/4885

“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.