SCHEMBL5539062

SCHEMBL5539062

O=C1CCN(c2ccc(C(F)(F)F)cc2)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.54
CA2 P00918 1/20 0.54
CA9 Q16790 1/20 0.54
AKR1C3 P42330 1/20 0.51
NOTUM Q6P988 1/20 0.47
ME2 P23368 1/20 0.46
ME1 P48163 1/20 0.46
ME3 Q16798 1/20 0.46
DHFR P00374 1/20 0.44
MAOB P27338 1/20 0.43
CYP3A4 P08684 2/20 0.43
ADRA1D P25100 1/20 0.42
ADRA1A P35348 1/20 0.42
ADRA1B P35368 1/20 0.42
HSD11B1 P28845 1/20 0.42
MAPT P10636 2/20 0.41
MLYCD O95822 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ADAMTS5 Q9UNA0 1/20 0.41
GAA P10253 1/20 0.41

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
SCHEMBL28650484 0.83 CA12 (0.65) CA12CA2CA9AKR1C3NOTUM
SCHEMBL6074070 0.82 MAPT (0.55) CA2CA9MAPTSMN1; SMN2LMNA
SCHEMBL12419711 0.81 CA12 (0.50) CA12CA2CA9AKR1C3NOTUM
SCHEMBL1773560 0.81 HSD11B1 (0.49) CA12CA2CA9HSD11B1MAPT
SCHEMBL30822812 0.80 CA12 (0.49) CA12CA2CA9AKR1C3NOTUM
SCHEMBL28842325 0.79 CA12 (0.56) CA12CA2CA9AKR1C3NOTUM
SCHEMBL13285321 0.79 CA12 (0.56) CA12CA2CA9AKR1C3NOTUM
SCHEMBL3660752 0.79 ALDH1A1 (0.64) NOTUMMAPTLMNA
SCHEMBL14637321 0.79 CA12 (0.45) CA12CA2CA9AKR1C3NOTUM
SCHEMBL6950829 0.78 ADRB1 (0.39) CA12CA2CA9AKR1C3CYP3A4

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240398781-A1 SPIROCYCLIC CYCLIC MODULATORS OF CHOLESTEROL BIOSYNTHESIS AND THEIR USE FOR PROMOTING REMYELINATION CONVELO THERAPEUTICS, INC. 2024-12-05 US disclosed
EP-4436975-A1 SPIROCYCLIC CYCLIC MODULATORS OF CHOLESTEROL BIOSYNTHESIS AND THEIR USE FOR PROMOTING REMYELINATION Genentech, Inc. (US) 2024-10-02 EP disclosed
CN-118696050-A Spirocyclic cyclic modulators of cholesterol biosynthesis and their use for promoting remyelination 基因泰克公司 2024-09-24 CN disclosed
WO-2023097233-A1 SPIROCYCLIC CYCLIC MODULATORS OF CHOLESTEROL BIOSYNTHESIS AND THEIR USE FOR PROMOTING REMYELINATION GENENTECH, INC. (US) 2023-06-01 WO disclosed
WO-2023097233-A1 SPIROCYCLIC CYCLIC MODULATORS OF CHOLESTEROL BIOSYNTHESIS AND THEIR USE FOR PROMOTING REMYELINATION GENENTECH, INC. (US) 2023-06-01 WO disclosed
US-11603368-B2 Fused thiophene derivatives and their uses ENYO PHARMA (FR) 2023-03-14 US disclosed
EP-3749658-A1 FUSED THIOPHENE DERIVATIVES AND THEIR USES ENYO Pharma (FR) 2020-12-16 EP disclosed
US-20200369682-A1 FUSED THIOPHENE DERIVATIVES AND THEIR USES ENYO PHARMA (FR) 2020-11-26 US disclosed
WO-2019154949-A1 FUSED THIOPHENE DERIVATIVES AND THEIR USES ENYO PHARMA (FR) 2019-08-15 WO disclosed
EP-2570418-A2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-03-20 EP disclosed
US-20110172415-A1 NITROGEN-CONTAINING HETEROCYCLE DERIVATIVES SUBSTITUTED WITH CYCLIC GROUP SHIONOGI & CO., LTD. (JP) 2011-07-14 US disclosed
US-7935706-B2 Nitrogen-containing heterocycle derivatives substituted with cyclic group SHIONOGI & CO., LTD. (JP) 2011-05-03 US disclosed
US-7935706-B2 Nitrogen-containing heterocycle derivatives substituted with cyclic group SHIONOGI & CO., LTD. (JP) 2011-05-03 US disclosed
US-20090062261-A1 NITROGEN-CONTAINING HETEROCYCLE DERIVATIVES SUBSTITUTED WITH CYCLIC GROUP SHIONOGI & CO., LTD. (JP) 2009-03-05 US disclosed
US-20090062261-A1 NITROGEN-CONTAINING HETEROCYCLE DERIVATIVES SUBSTITUTED WITH CYCLIC GROUP SHIONOGI & CO., LTD. (JP) 2009-03-05 US disclosed
EP-1988077-A1 NIROGENOUS HETEROCYCLIC DERIVATIVES SUBSTITUTED WITH CYCLIC GROUPS SHIONOGI & CO., LTD. (JP) 2008-11-05 EP disclosed
US-7262212-B2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-08-28 US disclosed
US-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-05-04 US disclosed
EP-1555267-A1 2,3-DIHYDRO-6-NITROIMIDAZO 2,1-b OXAZOLES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-07-20 EP disclosed
US-4808612-A ANTIINFLAMMATORY AGENTS AMERICAN HOME PRODUCTS CORPORATION (US) 1989-02-28 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 (6 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-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles NR2C2, NR4A3, NR4A2 CA12 1998/4885CA2 1853/4885CA9 3134/4885
US-20110172415-A1 NITROGEN-CONTAINING HETEROCYCLE DERIVATIVES SUBSTITUTED WITH CYCLIC GROUP NR4A1, NR0B2, NR0B1 CA12 1849/4885CA2 1032/4885CA9 2111/4885
US-20090062261-A1 NITROGEN-CONTAINING HETEROCYCLE DERIVATIVES SUBSTITUTED WITH CYCLIC GROUP NR4A1, NR0B2, NR0B1 CA12 1849/4885CA2 1032/4885CA9 2111/4885
US-20200369682-A1 FUSED THIOPHENE DERIVATIVES AND THEIR USES FTH1, SLC40A1, FECH CA12 4351/4885CA2 2964/4885CA9 3542/4885
US-20240398781-A1 SPIROCYCLIC CYCLIC MODULATORS OF CHOLESTEROL BIOSYNTHESIS AND THEIR USE FOR PROMOTING REMYELINATION MAG, PMP22, NR1H2 CA12 4453/4885CA2 3966/4885CA9 4778/4885
US-11603368-B2 Fused thiophene derivatives and their uses FTH1, SLC40A1, FECH CA12 4351/4885CA2 2964/4885CA9 3542/4885

“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.